 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_180_STD_B3LYPDBJ-def2TZVPDr.in
 Output=23_tartaric_acid_180_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/23_tartaric_acid_180_STD/Gau-138054.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/23_tartaric_acid_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    138056.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_180_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:22:07 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_180_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.590679000000     -0.628285000000     -0.073741000000
  O                                                 1.211559000000     -1.775276000000      0.013291000000
  O                                                 2.868849000000     -0.318264000000      0.051126000000
  C                                                 0.664406000000      0.550522000000     -0.353134000000
  C                                                -0.685188000000      0.564721000000      0.381775000000
  C                                                -1.733895000000     -0.516464000000      0.037464000000
  O                                                -2.859483000000     -0.150461000000     -0.205746000000
  O                                                 1.393505000000      1.714785000000      0.033235000000
  O                                                -1.246997000000      1.824753000000      0.059042000000
  O                                                -1.388076000000     -1.783485000000      0.060653000000
  H                                                 0.467689000000      0.633094000000     -1.429180000000
  H                                                -0.485201000000      0.574611000000      1.460886000000
  H                                                -0.398921000000     -1.894520000000      0.109807000000
  H                                                 2.947109000000      0.655108000000      0.032070000000
  H                                                 0.799648000000      2.471836000000     -0.067292000000
  H                                                -2.181205000000      1.640492000000     -0.153284000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul 22 20:22:07 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318264    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150461   -0.205746
      8          8           0        1.393505    1.714785    0.033235
      9          8           0       -1.246997    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655108    0.032070
     15          1           0        0.799648    2.471836   -0.067292
     16          1           0       -2.181205    1.640492   -0.153284
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.211154   0.000000
     3  O    1.321145   2.207017   0.000000
     4  C    1.525001   2.417226   2.403702   0.000000
     5  C    2.609661   3.034636   3.676978   1.536781   0.000000
     6  C    3.328312   3.203263   4.607030   2.653841   1.545088
     7  O    4.477687   4.388779   5.736543   3.595955   2.363096
     8  O    2.353784   3.494857   2.512021   1.427016   2.401061
     9  O    3.753323   4.359679   4.640342   2.333884   1.416851
    10  O    3.197738   2.600079   4.502041   3.135521   2.472093
    11  H    2.165502   2.904189   2.976904   1.096992   2.147873
    12  H    2.848037   3.239829   3.746238   2.147753   1.097530
    13  H    2.365491   1.617770   3.628546   2.706143   2.490739
    14  H    1.870346   2.986512   0.976699   2.317338   3.650212
    15  H    3.199456   4.267801   3.475669   1.947163   2.458350
    16  H    4.402361   4.817267   5.420475   3.053764   1.918760
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.208328   0.000000
     8  O    3.841760   4.650179   0.000000
     9  O    2.391408   2.563532   2.642917   0.000000
    10  O    1.313572   2.214221   4.469434   3.610995   0.000000
    11  H    2.884354   3.630540   2.041041   2.564177   3.391654
    12  H    2.185363   2.990085   2.620634   2.026908   2.887292
    13  H    1.920007   3.032438   4.030600   3.815076   0.996580
    14  H    4.825392   5.867027   1.880586   4.354230   4.974071
    15  H    3.919152   4.503871   0.967418   2.150217   4.786467
    16  H    2.211093   1.915809   3.580344   0.975592   3.521142
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.043666   0.000000
    13  H    3.083557   2.815931   0.000000
    14  H    2.878065   3.718702   4.207441   0.000000
    15  H    2.312122   2.754202   4.531335   2.814598   0.000000
    16  H    3.107958   2.572562   3.967627   5.225413   3.095806
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.29D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318265    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150460   -0.205746
      8          8           0        1.393506    1.714785    0.033235
      9          8           0       -1.246996    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655107    0.032070
     15          1           0        0.799649    2.471836   -0.067292
     16          1           0       -2.181204    1.640493   -0.153284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0975833           1.0678559           0.7247209
 Leave Link  202 at Thu Jul 22 20:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 6 1.00
     Exponent=  2.7032382631D+04 Coefficients=  2.1726302465D-04
     Exponent=  4.0523871392D+03 Coefficients=  1.6838662199D-03
     Exponent=  9.2232722710D+02 Coefficients=  8.7395616265D-03
     Exponent=  2.6124070989D+02 Coefficients=  3.5239968808D-02
     Exponent=  8.5354641351D+01 Coefficients=  1.1153519115D-01
     Exponent=  3.1035035245D+01 Coefficients=  2.5588953961D-01
 S 2 1.00
     Exponent=  1.2260860728D+01 Coefficients=  3.9768730901D-01
     Exponent=  4.9987076005D+00 Coefficients=  2.4627849430D-01
 S 1 1.00
     Exponent=  1.1703108158D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6474740994D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8504536357D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.0288026270D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  6.3274954801D+01 Coefficients=  6.0685103418D-03
     Exponent=  1.4627049379D+01 Coefficients=  4.1912575824D-02
     Exponent=  4.4501223456D+00 Coefficients=  1.6153841088D-01
     Exponent=  1.5275799647D+00 Coefficients=  3.5706951311D-01
 P 1 1.00
     Exponent=  5.2935117943D-01 Coefficients=  4.4794207502D-01
 P 1 1.00
     Exponent=  1.7478421270D-01 Coefficients=  2.4446069663D-01
 P 1 1.00
     Exponent=  5.1112745706D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3140000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.4500000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4696477366D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.4280000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   502 symmetry adapted cartesian basis functions of A   symmetry.
 There are   442 symmetry adapted basis functions of A   symmetry.
   442 basis functions,   664 primitive gaussians,   502 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       580.0099000626 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0250058849 Hartrees.
 Nuclear repulsion after empirical dispersion term =      579.9848941777 Hartrees.
 Leave Link  301 at Thu Jul 22 20:22:08 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   442 RedAO= T EigKep=  2.72D-06  NBF=   442
 NBsUse=   442 1.00D-06 EigRej= -1.00D+00 NBFU=   442
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   500   499   499   499   500 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul 22 20:22:08 2021, MaxMem=  5637144576 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:22:09 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_180_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:22:09 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636632264 LenY=  5636379758
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 950000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.690090417309    
 DIIS: error= 2.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.690090417309     IErMin= 1 ErrMin= 2.39D-03
 ErrMax= 2.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-03 BMatP= 5.61D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.37D-03 MaxDP=7.86D-01              OVMax= 2.17D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.36D-03    CP:  9.60D-01
 E= -607.694953460959     Delta-E=       -0.004863043650 Rises=F Damp=F
 DIIS: error= 1.65D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.694953460959     IErMin= 2 ErrMin= 1.65D-04
 ErrMax= 1.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-05 BMatP= 5.61D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.65D-03
 Coeff-Com: -0.120D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.120D-01 0.101D+01
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=3.52D-04 MaxDP=6.61D-02 DE=-4.86D-03 OVMax= 1.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.11D-04    CP:  9.62D-01  1.04D+00
 E= -607.694957870282     Delta-E=       -0.000004409324 Rises=F Damp=F
 DIIS: error= 1.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -607.694957870282     IErMin= 2 ErrMin= 1.65D-04
 ErrMax= 1.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.44D-05 BMatP= 3.58D-05
 IDIUse=3 WtCom= 4.22D-01 WtEn= 5.78D-01
 Coeff-Com: -0.108D-01 0.568D+00 0.443D+00
 Coeff-En:   0.000D+00 0.462D+00 0.538D+00
 Coeff:     -0.456D-02 0.507D+00 0.498D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=2.63D-05 MaxDP=3.66D-03 DE=-4.41D-06 OVMax= 1.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.43D-05    CP:  9.62D-01  1.05D+00  9.97D-01
 E= -607.694990033202     Delta-E=       -0.000032162920 Rises=F Damp=F
 DIIS: error= 6.09D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.694990033202     IErMin= 4 ErrMin= 6.09D-05
 ErrMax= 6.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-06 BMatP= 3.58D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.411D-02 0.188D+00 0.281D+00 0.535D+00
 Coeff:     -0.411D-02 0.188D+00 0.281D+00 0.535D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=8.70D-06 MaxDP=1.29D-03 DE=-3.22D-05 OVMax= 3.29D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.48D-06    CP:  9.62D-01  1.05D+00  1.02D+00  9.17D-01
 E= -607.694993419156     Delta-E=       -0.000003385953 Rises=F Damp=F
 DIIS: error= 1.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.694993419156     IErMin= 5 ErrMin= 1.64D-05
 ErrMax= 1.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-07 BMatP= 5.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.400D-03 0.473D-02 0.749D-01 0.290D+00 0.630D+00
 Coeff:     -0.400D-03 0.473D-02 0.749D-01 0.290D+00 0.630D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=1.80D-04 DE=-3.39D-06 OVMax= 1.56D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.13D-06    CP:  9.62D-01  1.05D+00  1.02D+00  9.27D-01  8.91D-01
 E= -607.694993640111     Delta-E=       -0.000000220955 Rises=F Damp=F
 DIIS: error= 7.74D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.694993640111     IErMin= 6 ErrMin= 7.74D-06
 ErrMax= 7.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-08 BMatP= 3.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-04-0.105D-01 0.307D-01 0.158D+00 0.424D+00 0.397D+00
 Coeff:      0.227D-04-0.105D-01 0.307D-01 0.158D+00 0.424D+00 0.397D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=7.97D-07 MaxDP=1.28D-04 DE=-2.21D-07 OVMax= 8.36D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.73D-07    CP:  9.62D-01  1.05D+00  1.03D+00  9.32D-01  8.97D-01
                    CP:  9.30D-01
 E= -607.694993696660     Delta-E=       -0.000000056549 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.694993696660     IErMin= 7 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-09 BMatP= 8.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.514D-04-0.603D-02 0.851D-02 0.510D-01 0.151D+00 0.205D+00
 Coeff-Com:  0.591D+00
 Coeff:      0.514D-04-0.603D-02 0.851D-02 0.510D-01 0.151D+00 0.205D+00
 Coeff:      0.591D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=2.43D-07 MaxDP=1.26D-05 DE=-5.65D-08 OVMax= 1.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.24D-07    CP:  9.62D-01  1.05D+00  1.03D+00  9.30D-01  9.09D-01
                    CP:  9.28D-01  1.00D+00
 E= -607.694993698559     Delta-E=       -0.000000001899 Rises=F Damp=F
 DIIS: error= 3.15D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.694993698559     IErMin= 8 ErrMin= 3.15D-07
 ErrMax= 3.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 2.62D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-04-0.206D-02 0.224D-02 0.140D-01 0.430D-01 0.685D-01
 Coeff-Com:  0.253D+00 0.622D+00
 Coeff:      0.209D-04-0.206D-02 0.224D-02 0.140D-01 0.430D-01 0.685D-01
 Coeff:      0.253D+00 0.622D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=5.43D-08 MaxDP=5.22D-06 DE=-1.90D-09 OVMax= 2.77D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.90D-08    CP:  9.62D-01  1.05D+00  1.03D+00  9.29D-01  9.08D-01
                    CP:  9.40D-01  1.02D+00  9.50D-01
 E= -607.694993698646     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.694993698646     IErMin= 9 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-11 BMatP= 1.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.503D-05-0.358D-03 0.168D-03 0.102D-02 0.418D-02 0.118D-01
 Coeff-Com:  0.653D-01 0.369D+00 0.549D+00
 Coeff:      0.503D-05-0.358D-03 0.168D-03 0.102D-02 0.418D-02 0.118D-01
 Coeff:      0.653D-01 0.369D+00 0.549D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=1.98D-08 MaxDP=2.15D-06 DE=-8.69D-11 OVMax= 1.49D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  9.62D-01  1.05D+00  1.03D+00  9.30D-01  9.08D-01
                    CP:  9.43D-01  1.02D+00  9.59D-01  9.45D-01
 E= -607.694993698676     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 5.46D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.694993698676     IErMin=10 ErrMin= 5.46D-08
 ErrMax= 5.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-12 BMatP= 3.28D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.372D-04-0.933D-04-0.631D-03-0.111D-02 0.126D-02
 Coeff-Com:  0.175D-01 0.166D+00 0.331D+00 0.486D+00
 Coeff:      0.122D-05-0.372D-04-0.933D-04-0.631D-03-0.111D-02 0.126D-02
 Coeff:      0.175D-01 0.166D+00 0.331D+00 0.486D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=5.81D-09 MaxDP=3.86D-07 DE=-3.05D-11 OVMax= 4.89D-07

 SCF Done:  E(RB3LYP) =  -607.694993699     A.U. after   10 cycles
            NFock= 10  Conv=0.58D-08     -V/T= 2.0044
 KE= 6.050439488828D+02 PE=-2.588226746059D+03 EE= 7.955029092995D+02
 Leave Link  502 at Thu Jul 22 20:24:51 2021, MaxMem=  5637144576 cpu:            1284.4 elap:             161.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   442
 NBasis=   442 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    442 NOA=    39 NOB=    39 NVA=   403 NVB=   403

 **** Warning!!: The largest alpha MO coefficient is  0.10503113D+03

 Leave Link  801 at Thu Jul 22 20:24:51 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4888 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.62D-13 8.33D-09 XBig12= 1.00D+00 3.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.62D-13 8.33D-09 XBig12= 4.24D-01 1.07D-01.
     11 vectors produced by pass  2 Test12= 2.62D-13 8.33D-09 XBig12= 8.43D-02 6.63D-02.
     11 vectors produced by pass  3 Test12= 2.62D-13 8.33D-09 XBig12= 1.10D-02 1.23D-02.
     11 vectors produced by pass  4 Test12= 2.62D-13 8.33D-09 XBig12= 9.77D-04 4.95D-03.
     11 vectors produced by pass  5 Test12= 2.62D-13 8.33D-09 XBig12= 3.22D-05 1.07D-03.
     11 vectors produced by pass  6 Test12= 2.62D-13 8.33D-09 XBig12= 5.83D-07 1.04D-04.
     11 vectors produced by pass  7 Test12= 2.62D-13 8.33D-09 XBig12= 9.37D-09 1.35D-05.
     11 vectors produced by pass  8 Test12= 2.62D-13 8.33D-09 XBig12= 1.38D-10 1.46D-06.
      8 vectors produced by pass  9 Test12= 2.62D-13 8.33D-09 XBig12= 1.20D-12 1.23D-07.
      1 vectors produced by pass 10 Test12= 2.62D-13 8.33D-09 XBig12= 8.17D-15 1.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.902497D+02
      2  0.663273D+00  0.804516D+02
      3  0.254819D+01 -0.982550D+00  0.541201D+02
 Isotropic polarizability for W=    0.088559       74.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.105275D+02  0.142228D+02 -0.839634D+01
      2   0.435654D+01 -0.701753D+01  0.553782D+01
      3   0.617092D+01 -0.720531D+01  0.285852D+01
      4   0.177135D+02 -0.442493D+01 -0.115076D+00
      5  -0.818758D+01  0.479801D+00 -0.478518D+01
      6  -0.780123D+00  0.112290D+01  0.160605D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.270181D+01 -0.103450D+01 -0.683892D+01
      2  -0.294053D+01 -0.141084D+01 -0.421427D+01
      3  -0.116656D+02 -0.369421D+00 -0.487060D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.594877D+00 -0.441492D+01 -0.232658D+02
      2  -0.208755D+00  0.665047D+00 -0.109561D+02
      3   0.349065D+01  0.878147D+01 -0.125992D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.800229D+00  0.415799D+00  0.215423D+01
      2   0.415799D+00  0.127364D+01  0.874094D+00
      3   0.215423D+01  0.874094D+00  0.330505D+00
 OR G Eigenvalues:    -2.4739     0.6301     2.6476  Iso=    -0.2680
 Eigenvectors:
   (1)   0.782959   0.057601  -0.619401
   (2)  -0.390889   0.820132  -0.417839
   (3)   0.483922   0.569268   0.664645
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2680 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -90.54 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   97903 ScalPx= 7.61D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.31D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.37D-14 2.78D-09 XBig12= 1.00D+00 4.86D-01.
     30 vectors produced by pass  1 Test12= 4.37D-14 2.78D-09 XBig12= 5.47D-02 8.04D-02.
     30 vectors produced by pass  2 Test12= 4.37D-14 2.78D-09 XBig12= 1.56D-03 7.11D-03.
     30 vectors produced by pass  3 Test12= 4.37D-14 2.78D-09 XBig12= 2.14D-05 5.23D-04.
     30 vectors produced by pass  4 Test12= 4.37D-14 2.78D-09 XBig12= 2.08D-07 4.91D-05.
     30 vectors produced by pass  5 Test12= 4.37D-14 2.78D-09 XBig12= 1.16D-09 3.32D-06.
     30 vectors produced by pass  6 Test12= 4.37D-14 2.78D-09 XBig12= 4.56D-12 2.35D-07.
      9 vectors produced by pass  7 Test12= 4.37D-14 2.78D-09 XBig12= 9.54D-15 1.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   219 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97903 ScalPx= 1.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97903 ScalPx= 1.56D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.97D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.902497D+02  0.663273D+00  0.254819D+01
      2   0.663273D+00  0.804516D+02 -0.982550D+00
      3   0.254819D+01 -0.982550D+00  0.541201D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.270181D+01 -0.103450D+01 -0.683892D+01
      2  -0.294053D+01 -0.141084D+01 -0.421427D+01
      3  -0.116656D+02 -0.369421D+00 -0.487060D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.105275D+02  0.142228D+02 -0.839634D+01
      2   0.435654D+01 -0.701753D+01  0.553782D+01
      3   0.617092D+01 -0.720531D+01  0.285852D+01
      4   0.177135D+02 -0.442493D+01 -0.115076D+00
      5  -0.818758D+01  0.479801D+00 -0.478518D+01
      6  -0.780123D+00  0.112290D+01  0.160605D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.267501D+01 -0.912029D+00 -0.199087D+00  0.256584D+01  0.208842D+01
      2  -0.912029D+00  0.282478D+01  0.822094D-01  0.208842D+01  0.560170D+01
      3  -0.199087D+00  0.822094D-01  0.658983D+00 -0.125488D+00 -0.446544D+00
                 6             7             8             9            10 
      1  -0.125488D+00 -0.104467D+01  0.752032D+00  0.486018D+00 -0.282289D+01
      2  -0.446544D+00  0.752032D+00 -0.577051D+00  0.168741D+00 -0.212546D+01
      3   0.908871D-01  0.486018D+00  0.168741D+00 -0.547461D+00  0.206294D+00
                11            12            13            14            15 
      1  -0.212546D+01  0.206294D+00 -0.586825D+01 -0.483855D+00  0.131350D+00
      2  -0.132940D+01  0.148969D+00 -0.483855D+00 -0.119188D+02  0.447790D+00
      3   0.148969D+00 -0.612365D+00  0.131350D+00  0.447790D+00 -0.185979D+01
                16            17            18            19            20 
      1   0.302604D+00  0.570813D-01 -0.432478D+00  0.999793D+01 -0.393809D+00
      2   0.570813D-01  0.425462D+00 -0.269414D+01 -0.393809D+00  0.288522D+00
      3  -0.432478D+00 -0.269414D+01  0.512488D+00  0.290454D+00  0.109704D+00
                21            22            23            24            25 
      1   0.290454D+00 -0.263580D+01  0.896294D+00  0.673725D-01  0.133345D+01
      2   0.109704D+00  0.896294D+00 -0.399507D+01  0.130730D+00 -0.369571D+00
      3   0.116083D+01  0.673725D-01  0.130730D+00 -0.125647D+00  0.239052D+01
                26            27            28            29            30 
      1  -0.369571D+00  0.239052D+01  0.427259D+01 -0.103070D+01 -0.618264D+00
      2   0.225334D+00  0.164515D+00 -0.103070D+01 -0.165665D+01 -0.494772D+00
      3   0.164515D+00  0.424397D+00 -0.618264D+00 -0.494772D+00  0.176500D+01
                31            32            33            34            35 
      1  -0.164187D+01 -0.268212D+01  0.106078D+00 -0.188654D+01 -0.100914D+01
      2  -0.268212D+01 -0.247279D+01 -0.315713D+00 -0.100914D+01  0.109750D+00
      3   0.106078D+00 -0.315713D+00  0.169114D+00  0.173519D+01 -0.530040D+00
                36            37            38            39            40 
      1   0.173519D+01 -0.478101D+01  0.155772D+01  0.306259D+00 -0.830726D+00
      2  -0.530040D+00  0.155772D+01  0.200531D+01 -0.287194D-02  0.250991D+01
      3   0.705579D+01  0.306259D+00 -0.287194D-02 -0.168818D+01  0.199482D+00
                41            42            43            44            45 
      1   0.250991D+01  0.199482D+00  0.980275D+00 -0.915209D+00 -0.196107D+01
      2  -0.101928D+01  0.405059D+00 -0.915209D+00  0.389976D+00  0.736900D+00
      3   0.405059D+00  0.890098D+00 -0.196107D+01  0.736900D+00 -0.740529D+01
                46            47            48            49            50 
      1   0.716632D+01 -0.255451D+01  0.119071D+01 -0.515347D+01 -0.201595D+01
      2  -0.255451D+01  0.104636D+01 -0.387687D-01 -0.201595D+01  0.498959D+00
      3   0.119071D+01 -0.387687D-01  0.615532D+00 -0.308337D+00 -0.342077D+00
                51            52            53            54            55 
      1  -0.308337D+00  0.210838D+01  0.225969D+00  0.242932D+00 -0.156166D+02
      2  -0.342077D+00  0.225969D+00  0.409390D+00 -0.601735D+00  0.145141D+01
      3  -0.106550D+01  0.242932D+00 -0.601735D+00  0.861262D+00 -0.141472D+01
                56            57            58            59            60 
      1   0.145141D+01 -0.141472D+01  0.222696D+01 -0.202521D+01  0.156687D+00
      2  -0.401285D+01  0.155894D+00 -0.202521D+01  0.183200D+01 -0.320815D+00
      3   0.155894D+00 -0.237530D+01  0.156687D+00 -0.320815D+00  0.885655D+00
                61            62            63            64            65 
      1  -0.226187D+01 -0.713705D-01 -0.355765D+01  0.552130D+01  0.159993D+01
      2  -0.713705D-01 -0.893763D+00  0.464348D+00  0.159993D+01  0.503375D+01
      3  -0.355765D+01  0.464348D+00 -0.166770D+01  0.507166D+00  0.306386D-01
                66            67            68            69            70 
      1   0.507166D+00  0.857232D+00  0.403428D+01 -0.178362D+00  0.118790D+01
      2   0.306386D-01  0.403428D+01  0.143132D+01  0.446630D+00  0.492606D+00
      3   0.424895D-01 -0.178362D+00  0.446630D+00 -0.450121D+00  0.595020D+00
                71            72            73            74            75 
      1   0.492606D+00  0.595020D+00  0.270580D+01  0.154137D+01  0.237555D+00
      2   0.125823D+01  0.109686D+01  0.154137D+01  0.155786D+01 -0.303756D+00
      3   0.109686D+01  0.115782D+00  0.237555D+00 -0.303756D+00  0.967319D+00
                76            77            78            79            80 
      1   0.250897D+01 -0.166981D+01 -0.435576D+00  0.813571D+00  0.330607D-01
      2  -0.166981D+01  0.736862D+01  0.129558D+00  0.330607D-01  0.382711D+00
      3  -0.435576D+00  0.129558D+00  0.860829D-01 -0.258460D+00  0.116610D+01
                81            82            83            84            85 
      1  -0.258460D+00 -0.882192D+01 -0.143878D+01  0.157481D-01  0.110263D+01
      2   0.116610D+01 -0.143878D+01 -0.141278D+01  0.163051D+00 -0.334495D+00
      3   0.487017D+00  0.157481D-01  0.163051D+00 -0.154263D+00  0.274903D+00
                86            87            88            89            90 
      1  -0.334495D+00  0.274903D+00 -0.299227D+00  0.158150D+00  0.112812D+00
      2  -0.795102D+01  0.114378D+00  0.158150D+00 -0.193293D+00 -0.203186D+01
      3   0.114378D+00 -0.950253D+00  0.112812D+00 -0.203186D+01  0.942192D-01
                91            92            93            94            95 
      1  -0.168463D+01  0.129783D+00 -0.112062D+01  0.295169D+00  0.437776D+00
      2   0.129783D+00 -0.113775D-01  0.874770D-01  0.437776D+00  0.680102D+00
      3  -0.112062D+01  0.874770D-01 -0.145190D+01 -0.600843D-01 -0.118151D+01
                96            97            98            99           100 
      1  -0.600843D-01 -0.146281D+01  0.307037D+00 -0.655175D+00  0.171179D+01
      2  -0.118151D+01  0.307037D+00 -0.188749D+01  0.655731D+00 -0.257540D+00
      3   0.618015D+00 -0.655175D+00  0.655731D+00 -0.837565D+01  0.121718D+01
               101           102           103           104           105 
      1  -0.257540D+00  0.121718D+01 -0.187318D+00 -0.386212D+00  0.133821D-01
      2  -0.152934D+00 -0.193847D-01 -0.386212D+00  0.286587D+00  0.113469D+01
      3  -0.193847D-01  0.148939D+01  0.133821D-01  0.113469D+01  0.280936D+00
               106           107           108           109           110 
      1   0.177691D+01  0.245818D+00  0.106949D+01  0.978567D+01 -0.528246D+00
      2   0.245818D+00  0.156073D+01  0.852264D-01 -0.528246D+00  0.143007D+01
      3   0.106949D+01  0.852264D-01  0.878533D+01 -0.102716D+00 -0.876557D-01
               111           112           113           114           115 
      1  -0.102716D+00 -0.414770D+00  0.334854D+00 -0.741231D-01  0.356242D+00
      2  -0.876557D-01  0.334854D+00 -0.181527D+01  0.999743D-01 -0.106953D+00
      3   0.404014D+00 -0.741231D-01  0.999743D-01 -0.580285D+00 -0.459284D-01
               116           117           118           119           120 
      1  -0.106953D+00 -0.459284D-01  0.232531D+01  0.144995D+01  0.254609D-01
      2   0.245949D+00 -0.585160D+00  0.144995D+01  0.825263D+00  0.415419D-01
      3  -0.585160D+00  0.133893D+00  0.254609D-01  0.415419D-01  0.752038D+00
               121           122           123           124           125 
      1   0.424114D+01  0.115775D+01  0.105346D+00 -0.147314D+00  0.341062D-01
      2   0.115775D+01  0.474766D+01 -0.391133D-01  0.341062D-01 -0.537306D-01
      3   0.105346D+00 -0.391133D-01  0.589250D+00  0.764696D+00  0.385539D+00
               126           127           128           129           130 
      1   0.764696D+00 -0.172638D+01  0.815682D+00 -0.334979D-01  0.221782D+01
      2   0.385539D+00  0.815682D+00 -0.269495D+01 -0.171683D-01 -0.929261D+00
      3   0.102314D+00 -0.334979D-01 -0.171683D-01 -0.244725D+00  0.213838D-01
               131           132           133           134           135 
      1  -0.929261D+00  0.213838D-01 -0.423424D+00  0.754130D-01  0.154422D+00
      2   0.683464D+01 -0.161579D+00  0.754130D-01 -0.569389D+00  0.923985D+00
      3  -0.161579D+00  0.113867D+01  0.154422D+00  0.923985D+00 -0.689913D-01
               136           137           138           139           140 
      1  -0.535827D+01  0.695245D+00 -0.507928D+00  0.716448D+00 -0.932379D+00
      2   0.695245D+00 -0.374097D+01  0.144893D+00 -0.932379D+00 -0.109396D+00
      3  -0.507928D+00  0.144893D+00 -0.132886D+01  0.105987D+00 -0.101449D+00
               141           142           143           144 
      1   0.105987D+00 -0.133348D+01  0.909728D-01 -0.640332D+00
      2  -0.101449D+00  0.909728D-01 -0.832824D+00  0.594989D+00
      3   0.282893D+00 -0.640332D+00  0.594989D+00 -0.507399D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114585D+00 -0.527371D+00  0.122888D+01 -0.300001D+01  0.966473D+00
      2   0.123596D+01 -0.175066D+01 -0.536409D+01 -0.302221D+01 -0.369094D+00
      3   0.122633D+01 -0.511706D+01  0.877191D+00 -0.938654D+01 -0.677239D+01
                 6             7             8             9            10 
      1   0.820770D+01 -0.121945D+01  0.109278D+02 -0.197103D+01  0.431870D+00
      2   0.992191D-01 -0.150538D+02  0.327847D+01 -0.291356D+01 -0.280677D+00
      3   0.156125D+01  0.350401D+01  0.184214D+01 -0.170075D+01  0.739135D+01
                11            12            13            14            15 
      1   0.467300D+00 -0.724868D+00  0.249867D+00  0.177748D+01 -0.106463D+02
      2   0.261062D+00  0.351444D+01  0.163291D+00  0.621199D+00 -0.155500D+01
      3  -0.127466D+01 -0.721246D+00  0.193070D+02  0.176185D+02 -0.107943D+01
                16            17            18            19            20 
      1   0.168545D+01 -0.699851D+00  0.129855D+01  0.530266D+00 -0.139033D+00
      2  -0.247715D+01 -0.538755D+01  0.116594D+01  0.156314D+01  0.154485D+00
      3  -0.183105D+01 -0.467194D+00  0.529604D+01 -0.285476D+01 -0.773398D+01
                21            22            23            24            25 
      1  -0.197896D+00  0.558916D+00 -0.792213D+00 -0.236491D+01  0.193036D+01
      2   0.942829D+01  0.104073D+01  0.292953D+00 -0.154496D+01  0.543599D+01
      3  -0.253703D+00  0.130847D+01  0.174502D+02 -0.161477D+00 -0.107164D+01
                26            27            28            29            30 
      1   0.132446D+01  0.436258D+00  0.209716D+01  0.525803D+00  0.163971D+01
      2  -0.196703D+01  0.174569D+01 -0.211775D+01  0.130133D+00  0.217342D+01
      3  -0.151372D+01 -0.139023D+01 -0.114862D+01 -0.192225D+01 -0.761117D-01
                31            32            33            34            35 
      1   0.296257D+01  0.169386D+01 -0.152200D+01 -0.296582D+00  0.172239D+01
      2   0.179073D+01 -0.203747D+00 -0.241665D+01 -0.361657D+01 -0.782683D+00
      3   0.627009D+01  0.105033D+01 -0.470980D+00  0.722151D-01 -0.121830D+01
                36            37            38            39            40 
      1  -0.723259D+00 -0.223523D+01  0.194310D+01 -0.161349D+01  0.107392D+01
      2   0.285966D+01  0.934310D-01 -0.270271D+00  0.271922D+01 -0.153016D+01
      3   0.989149D+00  0.184120D+01 -0.977681D+00  0.363547D+00  0.697676D+01
                41            42            43            44            45 
      1  -0.284893D+00 -0.136807D+01  0.214135D+00  0.215888D+01  0.125962D+01
      2  -0.500579D+00  0.204320D+01 -0.389382D+01 -0.119993D+01  0.302335D+01
      3   0.201521D+01  0.432174D+00  0.137852D+00 -0.538173D+00 -0.291432D+00
                46            47            48            49            50 
      1   0.118781D+01 -0.511640D+01 -0.982832D+00 -0.332978D+01 -0.141676D+01
      2   0.295732D+01  0.231467D+01 -0.906520D+01  0.275852D+01  0.105566D+01
      3  -0.591053D+01  0.871789D+01 -0.125742D+01  0.859836D+00 -0.355416D+01
                51            52            53            54            55 
      1   0.632761D+01  0.282411D+01  0.139179D+02  0.101023D+01 -0.131762D+01
      2   0.207393D+01 -0.139580D+02 -0.312362D+01 -0.540838D+01  0.136526D+01
      3   0.116518D+01 -0.117208D+01  0.599959D+01 -0.804181D+00  0.962911D+01
                56            57            58            59            60 
      1   0.231229D+01  0.203099D+00  0.857877D+00 -0.377981D+00 -0.361962D+01
      2  -0.780383D+00  0.145107D+02 -0.108363D+01  0.845991D+00 -0.155923D+01
      3  -0.217646D+02  0.117146D+01 -0.145250D+01  0.892970D+01 -0.920533D+00
                61            62            63            64            65 
      1  -0.293456D+01  0.130262D+01 -0.107896D+01 -0.760834D+00 -0.127332D+00
      2   0.560108D+01  0.148652D+01  0.501283D+01  0.788164D+00  0.519982D+00
      3   0.800419D+00 -0.486636D+01  0.305634D+01  0.131714D+02 -0.122875D+02
                66            67            68            69            70 
      1  -0.269544D+01 -0.669986D+00 -0.268239D+01 -0.410342D+01 -0.109159D+01
      2   0.405277D+01 -0.803607D+00  0.262422D+00  0.197753D+01 -0.155702D+01
      3   0.463261D+00 -0.478853D+01  0.615545D+01 -0.300856D+00  0.280429D+01
                71            72            73            74            75 
      1   0.330268D+01 -0.175522D+01 -0.154456D+01 -0.782036D+00 -0.255905D+00
      2   0.125830D+01  0.968070D+00  0.362218D+00 -0.518931D+00  0.192247D+01
      3  -0.141913D+01 -0.457641D+00  0.140674D+02  0.840152D+01  0.137493D+01
                76            77            78            79            80 
      1  -0.605108D+00  0.189171D+01 -0.648696D+01 -0.857106D-01  0.119194D+01
      2   0.686292D+00  0.335589D-01 -0.222911D+01 -0.294601D+01  0.149897D+00
      3   0.102523D+02  0.895137D+01 -0.473765D-01  0.257677D+01  0.206011D+01
                81            82            83            84            85 
      1   0.346796D+00  0.275855D+00  0.106360D+01 -0.750560D+00 -0.393843D+00
      2  -0.220657D+00  0.392060D+00 -0.462283D+00  0.383142D+01 -0.514335D+00
      3   0.110620D+01  0.249004D+02 -0.705115D+01  0.650165D-01  0.591386D+01
                86            87            88            89            90 
      1  -0.105274D+01 -0.801902D+01 -0.190093D+01 -0.248716D+01 -0.278894D+00
      2  -0.265382D+00  0.155063D+00 -0.974744D+00  0.425437D+01  0.491054D+00
      3  -0.875946D+01  0.238911D-01  0.137588D+01 -0.159375D+01 -0.353058D+01
                91            92            93            94            95 
      1   0.861406D-02  0.201672D+00  0.755149D+00  0.507273D+00 -0.795352D+00
      2  -0.193990D+01  0.453926D-01 -0.163181D+00 -0.117848D-01 -0.736565D+00
      3  -0.108205D+01 -0.447858D+00 -0.507614D+00  0.101285D+01 -0.432207D+00
                96            97            98            99           100 
      1  -0.289799D-01  0.290596D+00  0.310820D+01  0.261514D+01 -0.251747D+00
      2   0.144500D+00 -0.346329D+01  0.370584D+00 -0.453376D+01 -0.198869D+01
      3   0.651427D+00 -0.102614D+01  0.144672D+01 -0.934525D+00  0.598001D+00
               101           102           103           104           105 
      1   0.262444D+00 -0.720692D+00  0.139595D+00 -0.140214D+00 -0.126535D-01
      2  -0.203990D+00 -0.180983D+00  0.195753D+00 -0.506374D+00 -0.127245D+00
      3  -0.104580D+01  0.551001D+00  0.694353D+00 -0.359532D+00  0.690230D+00
               106           107           108           109           110 
      1  -0.486165D+00  0.300419D+01 -0.318284D+01 -0.700347D+00 -0.120658D+00
      2  -0.409013D+01  0.176551D+00 -0.470334D+01 -0.901160D+00  0.169237D+00
      3   0.625214D+00  0.699493D+00  0.356740D+00 -0.307866D+02  0.902773D+01
               111           112           113           114           115 
      1   0.107843D+01 -0.556086D-01  0.348050D-01 -0.609367D+00  0.166369D+00
      2  -0.323376D+01  0.155204D+00 -0.244842D+00  0.346813D+00 -0.311136D+01
      3   0.280721D+00  0.444799D+01 -0.218689D+01  0.218659D+00 -0.129655D+01
               116           117           118           119           120 
      1   0.370476D+00  0.172422D+00  0.372767D+00 -0.171989D+00 -0.960857D+00
      2   0.569793D+00  0.786271D-01  0.363317D-01 -0.149885D+00  0.111216D+01
      3   0.387631D+00 -0.231793D+00 -0.506203D+01 -0.151933D+01 -0.134633D+00
               121           122           123           124           125 
      1  -0.910815D-02  0.797831D+00  0.170535D-01  0.177905D+00  0.133816D+01
      2   0.138901D-01  0.110694D+00  0.287174D+01  0.613170D+00  0.167616D+01
      3  -0.209475D+01 -0.224345D+02 -0.112203D+00 -0.125344D+00  0.462284D+00
               126           127           128           129           130 
      1   0.436020D-01 -0.984114D-01 -0.690504D-01  0.102533D+01 -0.164388D+00
      2   0.630502D-01 -0.531240D+00  0.126175D+00 -0.636522D+00  0.381692D+00
      3  -0.100759D+01 -0.105153D+02  0.645287D+01  0.648926D-01  0.998310D+01
               131           132           133           134           135 
      1   0.260916D+00 -0.278676D+01 -0.304875D+00 -0.977406D+00  0.164902D+00
      2  -0.359713D+00  0.786799D+00 -0.144385D+01  0.836228D+00  0.198941D+00
      3  -0.131272D+02  0.188588D+00 -0.155576D+01  0.847244D+00 -0.547840D+00
               136           137           138           139           140 
      1   0.211899D+01  0.277660D+00  0.297196D+01  0.603861D+00  0.610910D+00
      2   0.239496D+00 -0.761828D-01  0.243959D+01 -0.220388D+00 -0.361775D-01
      3  -0.157972D+02 -0.116841D+02 -0.176980D+01 -0.417930D+01 -0.421296D+01
               141           142           143           144 
      1  -0.451006D-01  0.136281D+01  0.720614D+00  0.115121D+01
      2  -0.106660D+01 -0.189475D+00 -0.192756D+01  0.898769D+00
      3  -0.564846D+00 -0.381809D+01 -0.212860D+01  0.920833D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258646D+02  0.288840D+01 -0.381207D+00 -0.153040D+00  0.249088D+02
      2   0.155340D+02 -0.564265D+01  0.150532D+01  0.156779D+01 -0.316499D+02
      3   0.103306D+02  0.275424D+01 -0.112411D+01 -0.141475D+01  0.674109D+01
      4  -0.470571D+01  0.159660D+01  0.803520D-02 -0.411194D+01  0.999104D+01
      5  -0.110224D+01 -0.635515D+00 -0.834862D+01 -0.653883D+00  0.149251D+00
      6  -0.403291D+00  0.452340D+00 -0.361738D+01  0.986809D+00 -0.130328D+01
                 6             7             8             9            10 
      1  -0.128299D+01 -0.548100D+01 -0.236666D+01 -0.398746D+01 -0.223632D+01
      2  -0.129357D+00  0.369192D+01  0.262400D+01 -0.691358D+01  0.561331D+01
      3   0.141234D+01  0.178908D+01 -0.257345D+00  0.109010D+02 -0.337699D+01
      4  -0.470556D+00  0.241885D+01 -0.180296D+01  0.110563D+00 -0.219702D+01
      5  -0.188636D+01  0.403793D+01  0.135675D+01 -0.327564D+01  0.491915D+00
      6  -0.980159D+01 -0.841932D+00  0.247406D+01  0.197760D+01 -0.261923D+00
                11            12            13            14            15 
      1  -0.874631D+01  0.310977D+00 -0.137433D+02 -0.364628D+02  0.153284D+00
      2   0.826604D+01 -0.319934D+00  0.813770D+01  0.539644D+02 -0.499045D-01
      3   0.480268D+00  0.895669D-02  0.560560D+01 -0.175016D+02 -0.103379D+00
      4   0.153824D+02 -0.570079D+00  0.153695D+02 -0.268271D+02  0.563564D+00
      5  -0.988169D-01  0.529912D+01  0.242974D+00 -0.146009D+00 -0.355254D+01
      6  -0.116063D-01  0.167079D+01 -0.105415D+01  0.124059D+01  0.162193D+02
                16            17            18            19            20 
      1   0.769808D+00  0.148260D+01 -0.993040D+01  0.697861D+02 -0.179321D+01
      2  -0.109216D+01 -0.131199D+01  0.748690D+01 -0.419889D+02  0.113950D+01
      3   0.322348D+00 -0.170602D+00  0.244350D+01 -0.277972D+02  0.653707D+00
      4  -0.641500D+00  0.255298D+00 -0.728792D+01 -0.377391D+01  0.918045D+01
      5   0.313188D+01 -0.855207D+01  0.123525D+01  0.120875D+01  0.737390D+00
      6   0.826911D+00  0.142330D+02 -0.155285D+01  0.702376D+00 -0.236377D+00
                21            22            23            24            25 
      1   0.145881D+01 -0.111154D+02  0.219210D+01  0.177695D+00  0.462726D+01
      2  -0.866641D+00  0.559485D+01  0.669360D+00  0.105292D+00 -0.348313D+01
      3  -0.592172D+00  0.552059D+01 -0.286146D+01 -0.282987D+00 -0.114413D+01
      4   0.534228D+00  0.112374D+02 -0.191819D+02  0.932283D+00 -0.930840D-01
      5   0.178431D+02  0.182276D+00  0.719018D+00 -0.131462D+01  0.196659D+02
      6   0.156932D+00  0.426171D+00 -0.248337D+00  0.435835D+01 -0.211606D+01
                26            27            28            29            30 
      1   0.653494D+00  0.106352D+02 -0.584648D+00  0.381934D+01  0.251168D+01
      2   0.218213D+00 -0.107044D+02  0.935887D+00 -0.980224D+01  0.232519D+01
      3  -0.871707D+00  0.692505D-01 -0.351239D+00  0.598290D+01 -0.483687D+01
      4   0.927103D+00 -0.189229D+01 -0.559823D+01 -0.536062D+01 -0.131258D+01
      5   0.315247D+00  0.328859D+01 -0.221695D+01 -0.867766D-01 -0.776168D+00
      6   0.348553D+01 -0.657710D+00  0.123288D+01 -0.194034D+01 -0.539041D+00
                31            32            33            34            35 
      1  -0.233908D+01 -0.158883D+01  0.145805D+01  0.144244D+01 -0.284075D+01
      2  -0.333255D+01 -0.272321D+01 -0.630125D+00  0.183724D+01 -0.430658D+01
      3   0.567163D+01  0.431204D+01 -0.827928D+00 -0.327968D+01  0.714733D+01
      4  -0.103304D+02 -0.130042D+02  0.425894D+00 -0.600590D+01  0.309030D+00
      5   0.147787D+00 -0.617793D+00 -0.323385D+01  0.173912D+01  0.143832D+01
      6   0.302093D+00 -0.242027D+00 -0.274787D+01  0.330403D+01 -0.677298D-01
                36            37            38            39            40 
      1   0.106630D+02  0.231675D+01 -0.491415D+01  0.400877D+01  0.396929D+01
      2   0.836975D+01 -0.169899D+01  0.810295D+01  0.148955D+01  0.256868D+00
      3  -0.190327D+02 -0.617755D+00 -0.318880D+01 -0.549832D+01 -0.422615D+01
      4   0.239097D+01  0.325896D+01 -0.477775D+01  0.786401D-01 -0.854558D+01
      5   0.293412D+01  0.253393D+00 -0.509882D+00  0.115872D-01  0.197641D+00
      6   0.923999D+01 -0.158736D+01 -0.320789D+00  0.207072D+01  0.178178D+01
                41            42            43            44            45 
      1   0.116824D+00 -0.177720D+01  0.626809D+01  0.166657D+01  0.112147D+02
      2  -0.661488D+01 -0.158911D+01  0.816258D+00  0.151504D+01  0.928384D+01
      3   0.649806D+01  0.336631D+01 -0.708434D+01 -0.318161D+01 -0.204985D+02
      4   0.609305D+01  0.795760D+00  0.255349D+01 -0.961731D+00 -0.412712D+01
      5  -0.281359D+00  0.291708D+01  0.133875D+01 -0.241899D+01  0.266209D+01
      6  -0.584734D+00 -0.219439D+01 -0.345355D+01  0.218283D+01 -0.885455D+01
                46            47            48            49            50 
      1  -0.512732D+02  0.221855D+01 -0.260678D+01  0.191268D+02  0.185058D+02
      2   0.326957D+02  0.253214D+01  0.586728D+01 -0.127297D+02 -0.212284D+02
      3   0.185775D+02 -0.475069D+01 -0.326050D+01 -0.639709D+01  0.272263D+01
      4   0.559885D+01 -0.131935D+02 -0.745701D-01  0.446290D+01  0.214872D+01
      5  -0.611520D+01  0.827413D+00 -0.140156D+02  0.286183D+01  0.195015D+01
      6  -0.479253D+00 -0.414649D+00  0.312344D+01  0.217752D+01  0.207093D+01
                51            52            53            54            55 
      1   0.971325D+00 -0.120082D+02  0.124492D+01 -0.786242D+01  0.102329D+03
      2  -0.243933D+00  0.874118D+01  0.682425D+00 -0.330335D+01 -0.612688D+02
      3  -0.727392D+00  0.326706D+01 -0.192735D+01  0.111658D+02 -0.410604D+02
      4   0.210002D+01  0.505907D+00 -0.340395D+01  0.139050D+01 -0.185593D+01
      5   0.537433D+01  0.181929D+01  0.605410D+00 -0.701896D+01  0.839153D+01
      6  -0.921317D+01 -0.552161D+00  0.238185D+01 -0.452538D+00  0.201113D+00
                56            57            58            59            60 
      1  -0.734240D+01  0.568126D+01 -0.110232D+02  0.665125D+01 -0.672461D+00
      2   0.549264D+01 -0.575275D+01  0.819754D+01  0.134223D+00  0.757505D+00
      3   0.184976D+01  0.714939D-01  0.282569D+01 -0.678547D+01 -0.850444D-01
      4   0.260139D+02 -0.428426D+00  0.176303D+02 -0.537519D+01  0.206904D+01
      5  -0.121036D+01  0.252596D+02 -0.122672D+01  0.170250D+01 -0.398174D+01
      6   0.563018D+00 -0.320340D+00  0.946246D+00  0.234025D+00  0.566953D+01
                61            62            63            64            65 
      1   0.991018D+01 -0.109253D+01  0.156707D+02  0.137985D+02 -0.119536D+02
      2  -0.848311D+01  0.177528D+00 -0.147479D+02 -0.576587D+01  0.214034D+02
      3  -0.142707D+01  0.915004D+00 -0.922839D+00 -0.803264D+01 -0.944974D+01
      4  -0.103273D+01  0.455765D+01 -0.187609D+00  0.157884D+02  0.190392D+02
      5   0.261170D+02 -0.172465D+01  0.110416D+02  0.140495D+01  0.124201D+00
      6   0.261075D+01  0.406665D+01  0.113550D+01  0.140687D+01 -0.170848D+00
                66            67            68            69            70 
      1   0.296183D+00 -0.747666D+01  0.437765D+01 -0.317758D+01  0.251914D+01
      2  -0.203140D+01  0.133083D+02  0.220538D+01  0.642145D+00 -0.101009D+01
      3   0.173522D+01 -0.583166D+01 -0.658304D+01  0.253543D+01 -0.150905D+01
      4   0.145481D+01  0.177162D+02  0.188211D+02  0.938961D+00  0.503535D+01
      5   0.749398D+01  0.486733D-01  0.116006D+01  0.360595D+01  0.594215D+01
      6   0.367110D+01 -0.955455D+00  0.289818D+01  0.706377D+01  0.366492D+01
                71            72            73            74            75 
      1  -0.212257D+01 -0.326748D+01 -0.535402D+01 -0.268322D+01 -0.230582D+01
      2   0.558066D+01 -0.120082D+01  0.558382D+01  0.742175D+00 -0.987871D+00
      3  -0.345809D+01  0.446829D+01 -0.229800D+00  0.194105D+01  0.329369D+01
      4   0.402246D+01  0.462819D+01  0.367727D+01  0.122916D+01  0.192995D+01
      5   0.354757D+01  0.146117D+01 -0.156359D+01  0.670360D+00  0.442140D+01
      6   0.713051D+01  0.231073D+01  0.183485D+01 -0.658397D+00  0.294864D+00
                76            77            78            79            80 
      1  -0.227326D+01 -0.200009D+02  0.205530D+01 -0.946276D+00 -0.141567D+01
      2  -0.246957D+01  0.336352D+02  0.141665D+01  0.983917D+00 -0.663181D+00
      3   0.474284D+01 -0.136343D+02 -0.347195D+01 -0.376406D-01  0.207885D+01
      4   0.158703D+02 -0.246351D+02 -0.106647D+01  0.160409D+01 -0.445315D+00
      5   0.949613D-02 -0.775753D+00 -0.470480D+01  0.359875D+01 -0.287930D+01
      6  -0.194986D+01  0.693268D+00  0.104068D+02 -0.158639D+01  0.793280D+01
                81            82            83            84            85 
      1  -0.551802D+01  0.123935D+02  0.430283D+01  0.586875D+00 -0.341415D+01
      2   0.167624D+01 -0.415094D+01 -0.230582D+01 -0.710410D+00  0.317896D+01
      3   0.384178D+01 -0.824253D+01 -0.199701D+01  0.123535D+00  0.235195D+00
      4  -0.318709D+01  0.210503D+02  0.213079D+02 -0.777316D+00  0.853297D+01
      5  -0.271026D+00  0.372244D+00 -0.792734D+00  0.708281D+01 -0.139258D+01
      6   0.918799D+00  0.493849D+00 -0.267271D+00  0.154072D+00 -0.187970D+01
                86            87            88            89            90 
      1  -0.269938D+02  0.408501D+00  0.262441D+00 -0.589392D+00 -0.807589D+01
      2   0.407754D+02 -0.428329D+00 -0.128729D+01  0.136714D+00  0.514410D+01
      3  -0.137816D+02  0.198279D-01  0.102485D+01  0.452678D+00  0.293179D+01
      4   0.199975D+02 -0.151781D+01 -0.199265D+00  0.276642D+00  0.658692D+01
      5  -0.216003D+01  0.146619D+01  0.412763D+01  0.704744D+01 -0.260682D+00
      6  -0.247536D+01  0.145571D+02  0.552882D-01  0.130204D+02 -0.717173D+00
                91            92            93            94            95 
      1  -0.182185D+01  0.433936D-02 -0.334951D+01 -0.475282D+00 -0.332631D+01
      2  -0.295166D+01  0.457262D+00 -0.105517D+01  0.189769D+00  0.244085D+00
      3   0.477351D+01 -0.461601D+00  0.440468D+01  0.285513D+00  0.308223D+01
      4  -0.775646D+00  0.182312D+01 -0.139298D+01  0.263412D+01  0.124111D+01
      5   0.252613D+00 -0.564186D+00  0.504334D+01 -0.442789D-01 -0.615769D+00
      6  -0.181299D+01  0.802725D+00 -0.198903D+01  0.327695D+00 -0.193890D+01
                96            97            98            99           100 
      1   0.189028D+01 -0.386674D+01  0.336262D+01 -0.201705D+02 -0.233554D+01
      2  -0.137152D+01 -0.103005D+01 -0.101635D+01 -0.154589D+02 -0.283291D+01
      3  -0.518758D+00  0.489679D+01 -0.234627D+01  0.356294D+02  0.516845D+01
      4  -0.118677D+01 -0.975288D+00 -0.283548D+01 -0.174873D+00  0.112252D+01
      5   0.521291D+00  0.376345D+01  0.233224D+00 -0.600684D+01  0.331961D+00
      6   0.665700D+01 -0.970272D+00  0.537001D+01 -0.105438D+02  0.160060D+01
               101           102           103           104           105 
      1   0.505863D+00 -0.360353D+01  0.771590D+00 -0.298155D+01 -0.110532D+01
      2  -0.423316D+00 -0.107096D+01 -0.188525D+00 -0.215730D+00  0.194168D+01
      3  -0.825470D-01  0.467449D+01 -0.583066D+00  0.319728D+01 -0.836358D+00
      4   0.242505D+01  0.125760D+01  0.240657D+01 -0.233066D+00 -0.117554D+01
      5   0.200979D+00  0.548305D+01 -0.247535D+00 -0.475425D+00 -0.226515D+00
      6   0.684588D+00  0.163271D+01  0.770298D+00  0.116093D+01  0.647099D+01
               106           107           108           109           110 
      1  -0.564897D+01 -0.204050D+01 -0.219380D+02 -0.138312D+02  0.385507D+01
      2  -0.113964D+01  0.234123D+01 -0.160898D+02  0.703349D+01 -0.472699D+01
      3   0.678861D+01 -0.300735D+00  0.380278D+02  0.679771D+01  0.871915D+00
      4   0.149291D+01 -0.240082D+01  0.108133D+01 -0.174150D+02 -0.139755D+02
      5   0.390435D+01  0.600335D-01 -0.582491D+01 -0.644382D+00  0.462641D+00
      6   0.135020D+01  0.479666D+01  0.939549D+01 -0.611880D+00  0.314859D+00
               111           112           113           114           115 
      1  -0.584236D+00  0.156594D+01 -0.611813D+01  0.366715D+00  0.138388D+00
      2   0.383154D-01 -0.144043D+01  0.832511D+01 -0.333251D+00 -0.363569D-01
      3   0.545920D+00 -0.125512D+00 -0.220697D+01 -0.334633D-01 -0.102031D+00
      4   0.432632D+00  0.671708D+00  0.160376D+01  0.101893D+00 -0.503083D+00
      5  -0.585498D+01  0.526816D-01 -0.281931D+00  0.602367D+00  0.320004D+00
      6  -0.138311D+01  0.284088D+00 -0.484461D+00  0.178798D+01 -0.939135D-01
               116           117           118           119           120 
      1   0.706629D+00 -0.253644D+01  0.111174D+02  0.742474D+01  0.800670D-01
      2  -0.642989D+00  0.810271D+00 -0.496376D+01 -0.343768D+01  0.841847D-01
      3  -0.636400D-01  0.172617D+01 -0.615363D+01 -0.398705D+01 -0.164252D+00
      4   0.265457D+00  0.548013D+00  0.851976D+01  0.619793D+01  0.857115D-02
      5   0.811463D+00  0.240095D+00 -0.190870D+00  0.173626D-01  0.264049D+01
      6   0.286543D+01 -0.493538D+00 -0.150524D-01  0.285721D-01  0.134025D+01
               121           122           123           124           125 
      1   0.225658D+02  0.515591D+01  0.534616D+00 -0.853980D+00  0.607834D-01
      2  -0.132045D+02 -0.174982D+01 -0.558274D+00  0.378163D+00 -0.208505D+00
      3  -0.936129D+01 -0.340609D+01  0.236584D-01  0.475817D+00  0.147722D+00
      4   0.798554D+01  0.237065D+02 -0.131973D+00 -0.449090D-01 -0.241053D+00
      5   0.487384D+00 -0.258797D+00  0.463781D+01  0.500408D+01  0.271993D+01
      6   0.580664D-01  0.428585D+00 -0.130865D+00  0.841095D+00  0.167115D+01
               126           127           128           129           130 
      1   0.198739D+01 -0.453515D+01  0.100280D+02 -0.750674D+00  0.749291D+01
      2  -0.219292D+01  0.474881D+01 -0.135596D+02  0.240773D+00 -0.696050D+01
      3   0.205538D+00 -0.213659D+00  0.353164D+01  0.509901D+00 -0.532407D+00
      4   0.278965D+01 -0.375356D+01 -0.131216D+01 -0.198307D+00  0.398858D+01
      5   0.276094D+00 -0.175466D+00  0.806464D-01 -0.953735D+00  0.451548D-01
      6   0.754552D-01 -0.572159D+00  0.105532D+01 -0.121414D+01  0.838455D-01
               131           132           133           134           135 
      1  -0.225830D+02  0.768824D+00 -0.508097D+00  0.203285D+01 -0.352526D+01
      2   0.337785D+02 -0.106222D+01  0.704424D+00 -0.229140D+01  0.325205D+01
      3  -0.111955D+02  0.293393D+00 -0.196327D+00  0.258550D+00  0.273214D+00
      4   0.847305D+01 -0.370890D+00 -0.598299D+00 -0.612748D+00  0.945533D+00
      5  -0.749941D+00  0.183949D+01  0.114755D+01  0.945447D+00  0.409392D+00
      6  -0.200916D+01  0.464866D+01 -0.256653D-02  0.586311D+01 -0.691115D+00
               136           137           138           139           140 
      1   0.164281D+02  0.327015D+01  0.204471D+01 -0.392101D+01  0.451253D+01
      2  -0.668965D+01 -0.867993D+01 -0.454270D+00  0.778318D+00 -0.228088D+01
      3  -0.973841D+01  0.540978D+01 -0.159044D+01  0.314269D+01 -0.223165D+01
      4  -0.182777D+02  0.148754D+02 -0.193276D+01  0.473154D+01 -0.215604D+01
      5   0.184954D+01 -0.205277D+00  0.349061D+01 -0.710892D+00  0.681828D+00
      6  -0.172863D+01  0.118854D+00 -0.505183D+01  0.242737D+00 -0.422805D+00
               141           142           143           144 
      1  -0.114005D+00  0.167677D+01  0.191264D+01  0.560778D+00
      2   0.222676D+00 -0.129008D+01 -0.217978D+01 -0.149152D+01
      3  -0.108671D+00 -0.386693D+00  0.267144D+00  0.930746D+00
      4   0.540773D+00 -0.351653D+01  0.209041D+01 -0.361477D+01
      5  -0.206408D+01  0.459183D+01 -0.284255D+01  0.165787D+01
      6   0.368439D+00 -0.237308D+01  0.304535D+01 -0.207286D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 21:09:50 2021, MaxMem=  5637144576 cpu:           21542.9 elap:            2699.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.21683 -19.18595 -19.18242 -19.16940 -19.16007
 Alpha  occ. eigenvalues --  -19.13909 -10.35795 -10.33025 -10.29151 -10.27854
 Alpha  occ. eigenvalues --   -1.16300  -1.13024  -1.09384  -1.07572  -1.06290
 Alpha  occ. eigenvalues --   -1.03579  -0.81014  -0.71882  -0.66873  -0.63384
 Alpha  occ. eigenvalues --   -0.61425  -0.58880  -0.56281  -0.52713  -0.50907
 Alpha  occ. eigenvalues --   -0.50576  -0.47891  -0.47153  -0.45477  -0.44306
 Alpha  occ. eigenvalues --   -0.43244  -0.42277  -0.37892  -0.37621  -0.35656
 Alpha  occ. eigenvalues --   -0.34384  -0.33154  -0.31675  -0.31009
 Alpha virt. eigenvalues --   -0.05542  -0.02990  -0.01751   0.00361   0.00975
 Alpha virt. eigenvalues --    0.01194   0.03761   0.04940   0.05155   0.05934
 Alpha virt. eigenvalues --    0.06185   0.07329   0.08182   0.08414   0.09063
 Alpha virt. eigenvalues --    0.09525   0.09904   0.10590   0.11290   0.11573
 Alpha virt. eigenvalues --    0.12351   0.13373   0.13426   0.14985   0.15617
 Alpha virt. eigenvalues --    0.15878   0.16145   0.17176   0.18135   0.18298
 Alpha virt. eigenvalues --    0.19039   0.20094   0.20330   0.20810   0.21072
 Alpha virt. eigenvalues --    0.21470   0.22515   0.22684   0.23002   0.24050
 Alpha virt. eigenvalues --    0.24678   0.25007   0.25326   0.26021   0.26317
 Alpha virt. eigenvalues --    0.26520   0.26823   0.27315   0.28248   0.28423
 Alpha virt. eigenvalues --    0.29310   0.30118   0.30364   0.31013   0.31593
 Alpha virt. eigenvalues --    0.33197   0.34138   0.34604   0.35402   0.35727
 Alpha virt. eigenvalues --    0.36587   0.36862   0.37137   0.37654   0.38144
 Alpha virt. eigenvalues --    0.39112   0.39758   0.40259   0.40573   0.41517
 Alpha virt. eigenvalues --    0.42223   0.43057   0.43983   0.44363   0.44613
 Alpha virt. eigenvalues --    0.45716   0.45856   0.46534   0.46887   0.47423
 Alpha virt. eigenvalues --    0.48496   0.48684   0.49874   0.50575   0.51513
 Alpha virt. eigenvalues --    0.51857   0.53066   0.54059   0.54647   0.54869
 Alpha virt. eigenvalues --    0.55798   0.56512   0.56659   0.57053   0.57480
 Alpha virt. eigenvalues --    0.57765   0.58335   0.60002   0.60469   0.60861
 Alpha virt. eigenvalues --    0.61387   0.61695   0.62328   0.63409   0.64258
 Alpha virt. eigenvalues --    0.64739   0.65117   0.65886   0.67206   0.67831
 Alpha virt. eigenvalues --    0.68166   0.69287   0.69628   0.71074   0.71417
 Alpha virt. eigenvalues --    0.72078   0.72351   0.74666   0.75050   0.75422
 Alpha virt. eigenvalues --    0.76380   0.76869   0.77559   0.79089   0.80615
 Alpha virt. eigenvalues --    0.81969   0.82830   0.83557   0.84834   0.85218
 Alpha virt. eigenvalues --    0.86669   0.87149   0.87746   0.89231   0.90243
 Alpha virt. eigenvalues --    0.91298   0.92458   0.93571   0.94829   0.96999
 Alpha virt. eigenvalues --    0.97369   0.98791   0.99329   1.01194   1.01963
 Alpha virt. eigenvalues --    1.02726   1.04399   1.04826   1.05279   1.07320
 Alpha virt. eigenvalues --    1.08052   1.09847   1.11980   1.12516   1.13018
 Alpha virt. eigenvalues --    1.15447   1.16259   1.16968   1.18837   1.20469
 Alpha virt. eigenvalues --    1.22258   1.24111   1.24843   1.26286   1.26997
 Alpha virt. eigenvalues --    1.27798   1.29429   1.30172   1.31057   1.33909
 Alpha virt. eigenvalues --    1.35179   1.37840   1.41572   1.44541   1.46007
 Alpha virt. eigenvalues --    1.48506   1.49914   1.53718   1.58179   1.62368
 Alpha virt. eigenvalues --    1.64171   1.67275   1.68363   1.69695   1.70743
 Alpha virt. eigenvalues --    1.72183   1.72743   1.75003   1.75838   1.78037
 Alpha virt. eigenvalues --    1.79486   1.80361   1.82038   1.82648   1.84930
 Alpha virt. eigenvalues --    1.88331   1.89133   1.91435   1.93200   1.93973
 Alpha virt. eigenvalues --    1.97039   1.97509   1.99988   2.01461   2.04233
 Alpha virt. eigenvalues --    2.06237   2.07454   2.11111   2.12079   2.14214
 Alpha virt. eigenvalues --    2.16770   2.18358   2.18707   2.19958   2.22104
 Alpha virt. eigenvalues --    2.24705   2.24885   2.27073   2.29031   2.30634
 Alpha virt. eigenvalues --    2.31771   2.35362   2.35911   2.36341   2.37977
 Alpha virt. eigenvalues --    2.41411   2.42974   2.45906   2.47494   2.49004
 Alpha virt. eigenvalues --    2.50068   2.51187   2.57440   2.59141   2.60739
 Alpha virt. eigenvalues --    2.65612   2.66052   2.70402   2.74052   2.76177
 Alpha virt. eigenvalues --    2.77525   2.79307   2.82062   2.83536   2.84645
 Alpha virt. eigenvalues --    2.86548   2.87398   2.89563   2.91155   2.94176
 Alpha virt. eigenvalues --    2.95921   2.97258   2.97709   2.99848   3.02153
 Alpha virt. eigenvalues --    3.06752   3.08247   3.10773   3.13321   3.14787
 Alpha virt. eigenvalues --    3.16118   3.17132   3.19385   3.19667   3.21136
 Alpha virt. eigenvalues --    3.23066   3.24575   3.27222   3.29730   3.30733
 Alpha virt. eigenvalues --    3.32171   3.34104   3.37842   3.40232   3.41716
 Alpha virt. eigenvalues --    3.42981   3.45127   3.45503   3.47645   3.48245
 Alpha virt. eigenvalues --    3.49409   3.50439   3.51719   3.52290   3.54003
 Alpha virt. eigenvalues --    3.57425   3.58342   3.60940   3.61537   3.62529
 Alpha virt. eigenvalues --    3.64515   3.66260   3.68085   3.73671   3.78603
 Alpha virt. eigenvalues --    3.83852   3.87268   3.90078   3.93148   3.96607
 Alpha virt. eigenvalues --    4.06074   4.08456   4.11588   4.12860   4.16455
 Alpha virt. eigenvalues --    4.22789   4.27714   4.30939   4.33478   4.37529
 Alpha virt. eigenvalues --    4.44760   4.58215   4.59024   4.63155   4.72966
 Alpha virt. eigenvalues --    4.77118   4.82181   4.87826   4.89833   4.95528
 Alpha virt. eigenvalues --    5.03602   5.12143   5.15406   5.19916   5.22226
 Alpha virt. eigenvalues --    5.23544   5.25635   5.27613   5.32221   5.32773
 Alpha virt. eigenvalues --    5.35930   5.36590   5.38587   5.41053   5.42610
 Alpha virt. eigenvalues --    5.46475   5.46994   5.54853   5.56123   5.59155
 Alpha virt. eigenvalues --    5.62599   5.73968   5.76322   5.76916   5.79269
 Alpha virt. eigenvalues --    5.85055   5.87959   5.89436   5.94175   5.96728
 Alpha virt. eigenvalues --    5.99773   6.03552   6.06305   6.16034   6.18388
 Alpha virt. eigenvalues --    6.25714   6.27108   6.33438   6.35818   6.44026
 Alpha virt. eigenvalues --    6.44577   6.46947   6.49350   6.53690   6.54419
 Alpha virt. eigenvalues --    6.57726   6.58735   6.60518   6.70517   6.72196
 Alpha virt. eigenvalues --    6.75354   6.76669   6.77101   6.79864   6.81243
 Alpha virt. eigenvalues --    6.82629   6.85339   6.87906   6.90159   6.92078
 Alpha virt. eigenvalues --    6.93960   7.11001   7.11989   7.15226   7.17009
 Alpha virt. eigenvalues --    7.19030   7.21356   7.24650   7.26539   7.34153
 Alpha virt. eigenvalues --    7.35530   7.38602   7.47702  22.70757  22.74014
 Alpha virt. eigenvalues --   23.50372  23.54074  44.17875  44.20069  44.23958
 Alpha virt. eigenvalues --   44.27786  44.36793  44.40941
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.577780   0.196620   0.163378  -0.229029   0.058956  -0.006104
     2  O    0.196620   8.642943  -0.132453  -0.019178   0.007740   0.002198
     3  O    0.163378  -0.132453   8.296104  -0.023060   0.019299   0.000209
     4  C   -0.229029  -0.019178  -0.023060   6.255896  -0.702761   0.226727
     5  C    0.058956   0.007740   0.019299  -0.702761   6.573353  -0.426463
     6  C   -0.006104   0.002198   0.000209   0.226727  -0.426463   5.654076
     7  O    0.000404  -0.003218  -0.000164  -0.010535   0.106702   0.066884
     8  O    0.128636  -0.005353  -0.068545  -0.113972  -0.071427   0.027282
     9  O    0.023063  -0.002926  -0.001402   0.061976   0.066318  -0.126624
    10  O   -0.007070  -0.087520  -0.003330   0.005991  -0.020098   0.170939
    11  H   -0.265144   0.007384   0.030333   0.280451  -0.094250  -0.036036
    12  H   -0.094984   0.008357   0.003808  -0.108025   0.178994   0.006522
    13  H   -0.013682  -0.026895   0.003406   0.039754  -0.016767  -0.002265
    14  H    0.094365   0.014273   0.166427  -0.047835  -0.006417  -0.003339
    15  H   -0.010835  -0.000509   0.005185  -0.021347   0.004660  -0.004010
    16  H    0.000044   0.000386   0.000139  -0.013131   0.052480  -0.055074
               7          8          9         10         11         12
     1  C    0.000404   0.128636   0.023063  -0.007070  -0.265144  -0.094984
     2  O   -0.003218  -0.005353  -0.002926  -0.087520   0.007384   0.008357
     3  O   -0.000164  -0.068545  -0.001402  -0.003330   0.030333   0.003808
     4  C   -0.010535  -0.113972   0.061976   0.005991   0.280451  -0.108025
     5  C    0.106702  -0.071427   0.066318  -0.020098  -0.094250   0.178994
     6  C    0.066884   0.027282  -0.126624   0.170939  -0.036036   0.006522
     7  O    8.524775  -0.000780  -0.034682  -0.121480  -0.000869  -0.028211
     8  O   -0.000780   8.766426  -0.007575  -0.000009  -0.197021   0.007369
     9  O   -0.034682  -0.007575   8.580792   0.005913   0.015493  -0.133116
    10  O   -0.121480  -0.000009   0.005913   8.455463   0.003033  -0.015150
    11  H   -0.000869  -0.197021   0.015493   0.003033   1.003624   0.052511
    12  H   -0.028211   0.007369  -0.133116  -0.015150   0.052511   0.931761
    13  H    0.012528  -0.001563  -0.004179   0.086759   0.005435   0.013215
    14  H    0.000031   0.059983   0.001160   0.000422  -0.026750  -0.004566
    15  H    0.000547   0.124280   0.011972   0.000320   0.052306   0.020917
    16  H    0.066824   0.000505   0.157121   0.001729   0.014500   0.007280
              13         14         15         16
     1  C   -0.013682   0.094365  -0.010835   0.000044
     2  O   -0.026895   0.014273  -0.000509   0.000386
     3  O    0.003406   0.166427   0.005185   0.000139
     4  C    0.039754  -0.047835  -0.021347  -0.013131
     5  C   -0.016767  -0.006417   0.004660   0.052480
     6  C   -0.002265  -0.003339  -0.004010  -0.055074
     7  O    0.012528   0.000031   0.000547   0.066824
     8  O   -0.001563   0.059983   0.124280   0.000505
     9  O   -0.004179   0.001160   0.011972   0.157121
    10  O    0.086759   0.000422   0.000320   0.001729
    11  H    0.005435  -0.026750   0.052306   0.014500
    12  H    0.013215  -0.004566   0.020917   0.007280
    13  H    0.434545   0.000670  -0.001057  -0.000431
    14  H    0.000670   0.380295  -0.005297  -0.000118
    15  H   -0.001057  -0.005297   0.497148   0.002238
    16  H   -0.000431  -0.000118   0.002238   0.443584
 Mulliken charges:
               1
     1  C    0.383602
     2  O   -0.601849
     3  O   -0.459335
     4  C    0.418079
     5  C    0.269682
     6  C    0.505078
     7  O   -0.578755
     8  O   -0.648234
     9  O   -0.613304
    10  O   -0.475912
    11  H    0.155001
    12  H    0.153318
    13  H    0.470528
    14  H    0.376697
    15  H    0.323482
    16  H    0.321923
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.383602
     2  O   -0.601849
     3  O   -0.082638
     4  C    0.573080
     5  C    0.423000
     6  C    0.505078
     7  O   -0.578755
     8  O   -0.324752
     9  O   -0.291381
    10  O   -0.005385
 Electronic spatial extent (au):  <R**2>=           1455.6637
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5943    Y=              2.9055    Z=             -0.2199  Tot=              3.9014
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.9008   YY=            -61.8832   ZZ=            -55.0726
   XY=              1.6312   XZ=             -2.1182   YZ=             -1.1493
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2819   YY=             -0.2643   ZZ=              6.5463
   XY=              1.6312   XZ=             -2.1182   YZ=             -1.1493
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.5803  YYY=             16.5135  ZZZ=             -0.1831  XYY=              1.9312
  XXY=             22.8445  XXZ=              1.5173  XZZ=              0.6892  YZZ=             -0.2302
  YYZ=             -2.2644  XYZ=              1.5525
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1164.4184 YYYY=           -554.1513 ZZZZ=            -75.1181 XXXY=              6.7061
 XXXZ=             -8.9608 YYYX=             10.6883 YYYZ=             -5.8126 ZZZX=             -0.7882
 ZZZY=             -0.5065 XXYY=           -285.7685 XXZZ=           -192.5631 YYZZ=           -109.7674
 XXYZ=             -2.8551 YYXZ=              2.1616 ZZXY=             -0.4039
 N-N= 5.799848941777D+02 E-N=-2.588226743358D+03  KE= 6.050439488828D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 21:09:51 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.01689278D+00 1.18412649D+00-9.38804386D-02
 Polarizability= 8.17975500D+01 4.85168438D-01 7.24905273D+01
                 2.31743696D+00-9.28608424D-01 4.74490445D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.2740   -1.2741        0.3319    0.3316
 2      1.2740    1.2741        0.4914    0.4913       -4.8991   -4.8991
 3     -0.3319   -0.3316       18.0642   18.0648       -0.4915   -0.4913
 4     -0.4914   -0.4913       -0.0000    0.0000       -0.3315   -0.3316
 5    -13.1652  -13.1658        0.3315    0.3316       -1.2737   -1.2741
 6      0.4915    0.4913        1.2737    1.2741       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.8223    3.8223        0.9949    0.9949
 2     -1.4738   -1.4738        0.0000    0.0000        0.9949    0.9949
 3     -1.4738   -1.4738        3.8223    3.8223        0.0000    0.0000
 4      3.8223    3.8223        1.4738    1.4738      -14.6972  -14.6972
 5     -0.9949   -0.9949       54.1944   54.1944       -1.4738   -1.4738
 6    -39.4973  -39.4973        0.9949    0.9949       -3.8223   -3.8223
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0319    0.0000        5.1033    5.0964       -1.3192   -1.3265
 2     -5.1095   -5.0964       -1.9792   -1.9651       19.5503   19.5962
 3      1.3165    1.3265      -72.3116  -72.2592        1.9669    1.9651
 4      2.0030    1.9651        0.0078    0.0000        1.3096    1.3265
 5     52.6509   52.6630       -1.3365   -1.3265        5.1193    5.0964
 6     -1.9504   -1.9651       -5.1264   -5.0964       -0.0123    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0482    0.0000      -18.3847  -18.5045        3.9829    3.9750
 2     18.4783   18.5045       -4.4579   -4.5837        8.2903    8.2253
 3     -3.9968   -3.9750       -6.4216   -6.3777        4.7009    4.5837
 4      4.5431    4.5837        0.0092    0.0000       -3.9768   -3.9750
 5     -1.8366   -1.8476        3.9218    3.9750      -18.5111  -18.5045
 6     -4.5780   -4.5837       18.3733   18.5045       -0.0179    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.8973   -1.8144       -1.7458   -1.6530       -9.3498   -9.3105
 2      0.2865    0.3602      -21.3615  -21.4281       -9.2997   -9.3105
 3      0.2768    0.3602       -1.6597   -1.6530      -13.9586  -13.9342
 4     19.6788   19.7752       -1.9681   -2.1746       -0.1760   -0.1403
 5     -4.6587   -4.6237       -3.6677   -3.7096        2.2157    2.1746
 6      3.8413    3.8499        4.5267    4.6237      -19.7739  -19.7752
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.7795   -6.4224   -4.2787    0.0006    0.0006    0.0011
 Low frequencies ---   52.7945   70.0663   99.8989
 Diagonal vibrational polarizability:
       47.2791011      32.1767939      43.1856938
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.7868                70.0659                99.8988
 Red. masses --      8.9078                 9.1139                11.6971
 Frc consts  --      0.0146                 0.0264                 0.0688
 IR Inten    --      0.4862                 2.4131                 1.9607
 RamAct Fr= 1--      0.4485                 0.0694                 0.7976
  Dep-P Fr= 1--      0.7483                 0.3170                 0.7496
  Dep-U Fr= 1--      0.8560                 0.4815                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0640                 0.0056                 0.1139
 AlphaG Fr= 1--     -0.0002                -0.0008                 0.0006
 Gamma2 Fr= 1--     -0.1727                 0.0213                 0.1579
 Delta2 Fr= 1--      0.0203                 0.0366                 0.0179
 Raman1 Fr= 1--       1.794                  0.277                  3.190
 ROA1   Fr= 1--     -15.930                  3.219                 15.728
 CID1   Fr= 1--      -8.880                 11.602                  4.930
 Raman2 Fr= 1--       0.768                  0.067                  1.367
 ROA2   Fr= 1--      -4.308                  0.219                  3.646
 CID2   Fr= 1--      -5.610                  3.286                  2.667
 Raman3 Fr= 1--       1.536                  0.134                  2.734
 ROA3   Fr= 1--     -15.930                  3.219                 15.728
 CID3   Fr= 1--     -10.374                 24.097                  5.753
 RC180  Fr= 1--       0.712                 -0.037                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.01   0.01  -0.07    -0.03   0.00  -0.11
     2   8     0.02  -0.04  -0.30    -0.02   0.00  -0.22    -0.02  -0.02  -0.41
     3   8    -0.05   0.03   0.45     0.03  -0.06  -0.12    -0.06   0.01   0.22
     4   6     0.02  -0.02  -0.09     0.06   0.08   0.11    -0.02   0.02  -0.05
     5   6     0.03   0.01  -0.07    -0.05   0.07  -0.11     0.03   0.00   0.05
     6   6    -0.01   0.00   0.06    -0.02  -0.01   0.05     0.05  -0.00   0.03
     7   8    -0.07  -0.00   0.37    -0.05  -0.08   0.10     0.14  -0.00  -0.38
     8   8     0.01   0.01  -0.16     0.06  -0.02   0.44    -0.01   0.02  -0.10
     9   8     0.03  -0.00  -0.14    -0.05   0.00  -0.42    -0.01   0.01   0.19
    10   8     0.03   0.01  -0.15     0.01  -0.00   0.22    -0.04  -0.02   0.51
    11   1     0.02  -0.09  -0.09     0.20   0.31   0.09    -0.10   0.02  -0.04
    12   1     0.06   0.08  -0.07    -0.18   0.27  -0.08     0.10  -0.06   0.04
    13   1     0.04   0.00  -0.32     0.02   0.03   0.06    -0.04  -0.05   0.30
    14   1    -0.08   0.03   0.54     0.06  -0.06   0.03    -0.08   0.01   0.34
    15   1    -0.02  -0.00  -0.11     0.22   0.07   0.23    -0.06   0.00   0.03
    16   1    -0.03   0.02   0.12    -0.08  -0.03  -0.26     0.08  -0.04  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    247.2102               249.5725               328.4968
 Red. masses --      8.0659                 6.4189                 5.5313
 Frc consts  --      0.2904                 0.2356                 0.3517
 IR Inten    --     30.6089                10.9704                17.5436
 RamAct Fr= 1--      0.0242                 1.2656                 0.2744
  Dep-P Fr= 1--      0.6723                 0.7179                 0.5768
  Dep-U Fr= 1--      0.8041                 0.8358                 0.7316
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0009
 Beta2  Fr= 1--      0.0032                 0.1763                 0.0335
 AlphaG Fr= 1--     -0.0007                 0.0043                -0.0036
 Gamma2 Fr= 1--      0.0116                -0.2086                -0.0673
 Delta2 Fr= 1--      0.0224                -0.1000                 0.0084
 Raman1 Fr= 1--       0.097                  5.063                  1.098
 ROA1   Fr= 1--       1.831                -23.229                 -6.188
 CID1   Fr= 1--      18.952                 -4.588                 -5.638
 Raman2 Fr= 1--       0.039                  2.116                  0.401
 ROA2   Fr= 1--       0.099                 -4.208                 -1.682
 CID2   Fr= 1--       2.548                 -1.989                 -4.189
 Raman3 Fr= 1--       0.078                  4.231                  0.803
 ROA3   Fr= 1--       1.831                -23.229                 -6.188
 CID3   Fr= 1--      23.571                 -5.490                 -7.707
 RC180  Fr= 1--       0.608                  0.672                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.00   0.01     0.00  -0.13   0.06     0.05   0.04   0.10
     2   8    -0.26   0.03   0.02     0.22  -0.21  -0.09    -0.04   0.06  -0.11
     3   8    -0.14  -0.22   0.01    -0.04   0.09  -0.06     0.12  -0.10  -0.04
     4   6    -0.04   0.13   0.03    -0.14  -0.16   0.19     0.04   0.02   0.26
     5   6    -0.02   0.17   0.07    -0.13   0.11   0.19     0.01  -0.01   0.24
     6   6     0.16  -0.03   0.03    -0.01   0.11   0.08     0.02  -0.04   0.10
     7   8     0.12  -0.18  -0.01    -0.02  -0.00  -0.07     0.09   0.11  -0.04
     8   8     0.18   0.04  -0.07    -0.09  -0.13  -0.04    -0.02   0.17  -0.12
     9   8    -0.20   0.07   0.03    -0.01   0.12  -0.07    -0.07  -0.14  -0.13
    10   8     0.33   0.04  -0.08     0.18   0.16  -0.05    -0.15  -0.08  -0.09
    11   1    -0.10   0.13   0.04    -0.23  -0.29   0.19    -0.12  -0.19   0.27
    12   1    -0.00   0.24   0.07    -0.23   0.27   0.20    -0.15   0.19   0.27
    13   1     0.37   0.13  -0.08     0.18   0.17  -0.01    -0.16  -0.14  -0.04
    14   1     0.05  -0.24  -0.02    -0.23   0.11  -0.01     0.24  -0.12  -0.03
    15   1     0.33   0.15  -0.13    -0.05  -0.12  -0.20    -0.08   0.09  -0.38
    16   1    -0.15  -0.12  -0.03     0.02   0.15  -0.21    -0.04  -0.31  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.2066               367.6159               393.3612
 Red. masses --      6.0937                 4.2151                 5.0978
 Frc consts  --      0.4328                 0.3356                 0.4647
 IR Inten    --      7.8430                 6.3529                24.0388
 RamAct Fr= 1--      3.8615                 1.7658                 1.0497
  Dep-P Fr= 1--      0.1359                 0.4554                 0.3526
  Dep-U Fr= 1--      0.2393                 0.6258                 0.5214
 Alpha2 Fr= 1--      0.0619                 0.0106                 0.0091
 Beta2  Fr= 1--      0.1540                 0.1842                 0.0912
 AlphaG Fr= 1--      0.0321                -0.0111                -0.0176
 Gamma2 Fr= 1--      0.1643                 0.1323                 0.2729
 Delta2 Fr= 1--      0.0938                 0.1176                 0.0613
 Raman1 Fr= 1--      15.446                  7.063                  4.199
 ROA1   Fr= 1--      18.778                 16.465                 28.155
 CID1   Fr= 1--       1.216                  2.331                  6.705
 Raman2 Fr= 1--       1.848                  2.210                  1.095
 ROA2   Fr= 1--       3.194                  2.234                  6.059
 CID2   Fr= 1--       1.729                  1.011                  5.535
 Raman3 Fr= 1--       3.696                  4.420                  2.189
 ROA3   Fr= 1--      18.778                 16.465                 28.155
 CID3   Fr= 1--       5.081                  3.725                 12.860
 RC180  Fr= 1--      -0.521                  0.252                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.00   0.02    -0.08   0.01  -0.04    -0.04   0.07   0.05
     2   8     0.15  -0.00  -0.02     0.00  -0.02   0.02    -0.09   0.08  -0.04
     3   8     0.17  -0.03   0.03    -0.16   0.24  -0.00    -0.04   0.07  -0.02
     4   6     0.07   0.03   0.01    -0.04  -0.01  -0.01    -0.01   0.02   0.14
     5   6    -0.11   0.07  -0.04     0.05   0.00   0.06    -0.04  -0.03   0.09
     6   6    -0.16   0.03  -0.05     0.06  -0.03   0.05    -0.10  -0.08  -0.03
     7   8    -0.21  -0.09  -0.02     0.12   0.10  -0.00    -0.14  -0.23  -0.04
     8   8     0.27  -0.05  -0.06     0.20  -0.14   0.03     0.11   0.02  -0.05
     9   8    -0.27   0.04   0.13    -0.05  -0.08  -0.05     0.31   0.12  -0.02
    10   8    -0.10   0.04   0.02    -0.09  -0.08  -0.04    -0.03  -0.09  -0.01
    11   1     0.12   0.02   0.00    -0.11   0.11   0.02    -0.09  -0.04   0.15
    12   1    -0.12  -0.01  -0.04     0.07   0.07   0.06    -0.20  -0.06   0.12
    13   1    -0.11   0.06   0.03    -0.11  -0.17   0.01    -0.02  -0.02  -0.03
    14   1     0.20  -0.04  -0.00    -0.40   0.27  -0.04    -0.07   0.08  -0.04
    15   1     0.57   0.13  -0.40     0.55   0.07  -0.34     0.29   0.10  -0.43
    16   1    -0.21  -0.09  -0.03    -0.06  -0.21   0.05     0.22   0.50   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    447.1017               500.8361               517.3522
 Red. masses --      1.2702                 6.0153                 1.4087
 Frc consts  --      0.1496                 0.8890                 0.2221
 IR Inten    --    158.8246                13.2636                51.6253
 RamAct Fr= 1--      1.1750                 5.2341                 0.9433
  Dep-P Fr= 1--      0.7499                 0.5525                 0.2985
  Dep-U Fr= 1--      0.8571                 0.7118                 0.4598
 Alpha2 Fr= 1--      0.0000                 0.0197                 0.0097
 Beta2  Fr= 1--      0.1678                 0.6209                 0.0723
 AlphaG Fr= 1--      0.0001                 0.0325                 0.0324
 Gamma2 Fr= 1--      0.0427                -0.3453                 0.4930
 Delta2 Fr= 1--      0.4673                -0.5346                 0.0921
 Raman1 Fr= 1--       4.700                 20.936                  3.773
 ROA1   Fr= 1--      19.051                -50.256                 50.274
 CID1   Fr= 1--       4.053                 -2.400                 13.324
 Raman2 Fr= 1--       2.014                  7.451                  0.867
 ROA2   Fr= 1--      -2.713                 -4.011                 11.095
 CID2   Fr= 1--      -1.347                 -0.538                 12.792
 Raman3 Fr= 1--       4.028                 14.902                  1.735
 ROA3   Fr= 1--      19.051                -50.256                 50.274
 CID3   Fr= 1--       4.730                 -3.373                 28.980
 RC180  Fr= 1--       0.714                  0.424                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.07   0.14  -0.11    -0.01   0.00   0.03
     2   8     0.01   0.00   0.00    -0.14   0.23  -0.00    -0.00  -0.01  -0.01
     3   8    -0.01   0.02  -0.02     0.10   0.02   0.05    -0.01   0.00  -0.01
     4   6    -0.00   0.01   0.03    -0.04  -0.10  -0.06    -0.00  -0.00   0.04
     5   6    -0.01   0.01   0.03    -0.01  -0.13   0.13    -0.01  -0.04  -0.01
     6   6    -0.01  -0.01   0.00    -0.11   0.06   0.12    -0.00   0.02  -0.07
     7   8    -0.01  -0.01  -0.01    -0.10   0.03  -0.06    -0.02   0.03  -0.02
     8   8     0.09  -0.01  -0.07     0.01  -0.22   0.01     0.02   0.01  -0.02
     9   8    -0.01   0.01  -0.03     0.04  -0.21  -0.03    -0.00  -0.08  -0.04
    10   8    -0.02  -0.02  -0.00     0.13   0.18  -0.01     0.05   0.06   0.04
    11   1    -0.05  -0.01   0.04    -0.23  -0.03  -0.02     0.00  -0.03   0.04
    12   1    -0.07   0.03   0.04     0.08  -0.04   0.11    -0.06  -0.15   0.01
    13   1    -0.02  -0.02  -0.01     0.17   0.38   0.02     0.06   0.09  -0.01
    14   1    -0.03   0.03   0.10     0.16   0.02  -0.00    -0.01   0.00   0.00
    15   1    -0.20  -0.10   0.95     0.10  -0.14   0.10     0.03   0.02  -0.01
    16   1    -0.01   0.02  -0.01     0.15  -0.27  -0.47    -0.24   0.03   0.93
                     13                     14                     15
                      A                      A                      A
 Frequencies --    559.5717               595.9212               661.8145
 Red. masses --      2.9476                 7.0575                 3.6673
 Frc consts  --      0.5438                 1.4767                 0.9464
 IR Inten    --     24.9640                 3.6175                32.4642
 RamAct Fr= 1--      1.3148                 1.2781                 0.7604
  Dep-P Fr= 1--      0.0947                 0.2502                 0.6060
  Dep-U Fr= 1--      0.1730                 0.4003                 0.7547
 Alpha2 Fr= 1--      0.0233                 0.0151                 0.0020
 Beta2  Fr= 1--      0.0379                 0.0853                 0.0956
 AlphaG Fr= 1--     -0.0361                -0.0085                 0.0035
 Gamma2 Fr= 1--     -0.1731                 0.1869                -0.4541
 Delta2 Fr= 1--      0.1046                 0.3290                -0.4005
 Raman1 Fr= 1--       5.259                  5.112                  3.041
 ROA1   Fr= 1--     -13.272                 28.473                -56.410
 CID1   Fr= 1--      -2.523                  5.569                -18.547
 Raman2 Fr= 1--       0.455                  1.023                  1.148
 ROA2   Fr= 1--      -4.991                  1.854                 -7.694
 CID2   Fr= 1--     -10.968                  1.812                 -6.705
 Raman3 Fr= 1--       0.910                  2.046                  2.295
 ROA3   Fr= 1--     -13.272                 28.473                -56.410
 CID3   Fr= 1--     -14.583                 13.914                -24.576
 RC180  Fr= 1--      -0.654                 -0.199                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.15    -0.06  -0.11  -0.21    -0.05   0.08  -0.12
     2   8     0.07   0.04   0.05     0.13  -0.18   0.09     0.15   0.03   0.04
     3   8     0.06  -0.07   0.07    -0.15  -0.03   0.05    -0.04  -0.10   0.06
     4   6    -0.09   0.03  -0.11     0.06   0.15  -0.08    -0.15   0.09   0.05
     5   6    -0.01   0.08   0.11     0.11  -0.05   0.13    -0.15  -0.08   0.01
     6   6     0.00  -0.02   0.14    -0.13   0.05   0.14    -0.01  -0.07  -0.16
     7   8     0.05  -0.05  -0.07    -0.14  -0.08  -0.08     0.01   0.16   0.07
     8   8    -0.05  -0.07   0.03     0.08   0.29   0.04     0.04  -0.00  -0.02
     9   8    -0.00   0.10  -0.06     0.09  -0.20  -0.03     0.04  -0.01  -0.01
    10   8    -0.06  -0.07  -0.05    -0.01   0.13  -0.04     0.08  -0.09   0.06
    11   1    -0.27   0.18  -0.07    -0.11   0.46  -0.01    -0.37   0.23   0.10
    12   1     0.14   0.25   0.08     0.26   0.02   0.11    -0.42  -0.23   0.06
    13   1    -0.09  -0.12   0.07    -0.02   0.13   0.15     0.12   0.02  -0.08
    14   1     0.20  -0.10  -0.06    -0.12  -0.04  -0.19     0.25  -0.15  -0.30
    15   1     0.04  -0.00   0.07    -0.03   0.21   0.00     0.15   0.09   0.01
    16   1    -0.19   0.20   0.70     0.14  -0.23  -0.20     0.10   0.12  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    718.3197               755.9042               760.8162
 Red. masses --      1.1295                 5.8363                 7.7754
 Frc consts  --      0.3434                 1.9648                 2.6517
 IR Inten    --     62.2162                 3.6560                11.2721
 RamAct Fr= 1--      0.6408                 0.5074                 7.2476
  Dep-P Fr= 1--      0.6981                 0.1100                 0.0775
  Dep-U Fr= 1--      0.8222                 0.1982                 0.1439
 Alpha2 Fr= 1--      0.0006                 0.0087                 0.1340
 Beta2  Fr= 1--      0.0878                 0.0168                 0.1738
 AlphaG Fr= 1--      0.0125                -0.0199                 0.0107
 Gamma2 Fr= 1--     -0.0124                -0.0225                 0.3219
 Delta2 Fr= 1--      0.1083                -0.0034                -0.1192
 Raman1 Fr= 1--       2.563                  2.030                 28.990
 ROA1   Fr= 1--       2.274                 -2.272                 27.085
 CID1   Fr= 1--       0.887                 -1.119                  0.934
 Raman2 Fr= 1--       1.054                  0.201                  2.085
 ROA2   Fr= 1--      -1.164                 -0.514                  8.678
 CID2   Fr= 1--      -1.104                 -2.557                  4.161
 Raman3 Fr= 1--       2.108                  0.402                  4.171
 ROA3   Fr= 1--       2.274                 -2.272                 27.085
 CID3   Fr= 1--       1.079                 -5.648                  6.494
 RC180  Fr= 1--       0.644                 -0.604                 -0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.02    -0.10   0.11   0.29    -0.19   0.23   0.23
     2   8     0.02   0.00   0.03     0.11   0.02  -0.08     0.26   0.11  -0.06
     3   8     0.00  -0.03  -0.06    -0.09  -0.06  -0.05    -0.15  -0.15  -0.06
     4   6    -0.02   0.02  -0.02     0.01   0.02  -0.11    -0.11   0.07  -0.03
     5   6    -0.01  -0.01   0.00    -0.03  -0.04  -0.12     0.13   0.04  -0.01
     6   6    -0.02  -0.01   0.01    -0.20  -0.13   0.31     0.16   0.17  -0.08
     7   8    -0.00   0.02  -0.00    -0.05   0.16  -0.10     0.04  -0.21   0.04
     8   8     0.00   0.01  -0.01     0.04   0.00   0.02    -0.04  -0.13  -0.01
     9   8     0.01  -0.01  -0.00     0.02   0.01   0.02     0.05  -0.12   0.01
    10   8     0.02  -0.01   0.00     0.13  -0.12  -0.05    -0.19   0.17  -0.01
    11   1    -0.02   0.04  -0.01     0.40  -0.15  -0.19    -0.05  -0.11  -0.05
    12   1    -0.01  -0.01   0.00     0.36   0.12  -0.19     0.19  -0.07  -0.01
    13   1     0.02   0.01  -0.02     0.19   0.16   0.03    -0.26  -0.20   0.05
    14   1    -0.11   0.01   0.98     0.17  -0.10  -0.24     0.39  -0.22   0.11
    15   1     0.07   0.05  -0.09     0.08   0.04   0.05     0.16   0.02   0.05
    16   1     0.01   0.02  -0.02    -0.02   0.12   0.12     0.10  -0.21  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    893.6971               908.5299               928.3448
 Red. masses --      1.2828                 3.2748                 3.6757
 Frc consts  --      0.6037                 1.5926                 1.8664
 IR Inten    --     80.1307                16.8164                 6.4515
 RamAct Fr= 1--      0.7573                 0.7559                 2.8922
  Dep-P Fr= 1--      0.4938                 0.1046                 0.0507
  Dep-U Fr= 1--      0.6612                 0.1894                 0.0965
 Alpha2 Fr= 1--      0.0038                 0.0131                 0.0570
 Beta2  Fr= 1--      0.0835                 0.0239                 0.0465
 AlphaG Fr= 1--     -0.0203                -0.0025                 0.0564
 Gamma2 Fr= 1--      0.5509                 0.3513                -0.0679
 Delta2 Fr= 1--      0.3012                 0.2155                -0.0354
 Raman1 Fr= 1--       3.029                  3.024                 11.569
 ROA1   Fr= 1--      62.522                 40.620                 -7.654
 CID1   Fr= 1--      20.639                 13.434                 -0.662
 Raman2 Fr= 1--       1.001                  0.286                  0.558
 ROA2   Fr= 1--      10.812                  6.706                 -1.347
 CID2   Fr= 1--      10.796                 23.421                 -2.412
 Raman3 Fr= 1--       2.003                  0.573                  1.117
 ROA3   Fr= 1--      62.522                 40.620                 -7.654
 CID3   Fr= 1--      31.215                 70.930                 -6.855
 RC180  Fr= 1--       0.322                 -0.621                 -0.807
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.03   0.07  -0.15    -0.00   0.04  -0.16
     2   8    -0.01  -0.00  -0.02     0.06   0.09   0.01     0.05   0.07   0.04
     3   8     0.02   0.00   0.01    -0.15  -0.03   0.01    -0.10  -0.02   0.01
     4   6    -0.03   0.00   0.01     0.19  -0.10   0.11     0.11  -0.12   0.13
     5   6    -0.07  -0.05  -0.06     0.15   0.06   0.05    -0.15  -0.13  -0.15
     6   6     0.03   0.01   0.04    -0.05  -0.04  -0.10     0.04   0.04   0.20
     7   8     0.04  -0.01   0.01    -0.08   0.04   0.01     0.10  -0.05  -0.03
     8   8     0.02   0.02  -0.01    -0.02  -0.04  -0.00     0.05   0.03  -0.01
     9   8     0.01  -0.01   0.01    -0.05   0.06  -0.00    -0.02   0.02   0.02
    10   8    -0.00   0.03  -0.05     0.04  -0.07  -0.01    -0.06   0.08  -0.01
    11   1    -0.00   0.02   0.01     0.20  -0.25   0.09     0.27  -0.15   0.10
    12   1    -0.12  -0.09  -0.05     0.11   0.18   0.06    -0.30  -0.19  -0.12
    13   1    -0.09  -0.03   0.96     0.02   0.06   0.62    -0.04  -0.06  -0.60
    14   1    -0.01   0.01   0.02     0.09  -0.06   0.09     0.08  -0.05   0.04
    15   1     0.04   0.04   0.02    -0.31  -0.27  -0.13    -0.21  -0.17  -0.11
    16   1    -0.01   0.12  -0.01    -0.03  -0.21   0.09    -0.07   0.26   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1062.5189              1093.0372              1093.4830
 Red. masses --      6.6168                 6.8472                 4.6663
 Frc consts  --      4.4012                 4.8198                 3.2874
 IR Inten    --     30.5415                64.8208               107.4381
 RamAct Fr= 1--      2.6919                 1.9355                 3.3383
  Dep-P Fr= 1--      0.2646                 0.6967                 0.7125
  Dep-U Fr= 1--      0.4185                 0.8212                 0.8321
 Alpha2 Fr= 1--      0.0306                 0.0018                 0.0022
 Beta2  Fr= 1--      0.1877                 0.2649                 0.4630
 AlphaG Fr= 1--     -0.0316                -0.0024                -0.0262
 Gamma2 Fr= 1--     -0.2013                -0.0196                 0.2823
 Delta2 Fr= 1--     -0.0153                -0.5278                 1.0483
 Raman1 Fr= 1--      10.767                  7.742                 13.353
 ROA1   Fr= 1--     -19.812                -18.771                 60.645
 CID1   Fr= 1--      -1.840                 -2.425                  4.542
 Raman2 Fr= 1--       2.253                  3.179                  5.556
 ROA2   Fr= 1--      -4.708                  3.752                 -1.612
 CID2   Fr= 1--      -2.090                  1.180                 -0.290
 Raman3 Fr= 1--       4.506                  6.358                 11.111
 ROA3   Fr= 1--     -19.812                -18.771                 60.645
 CID3   Fr= 1--      -4.397                 -2.952                  5.458
 RC180  Fr= 1--      -0.163                  0.642                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.10    -0.01   0.01  -0.10    -0.02  -0.01   0.02
     2   8    -0.02  -0.06   0.03    -0.00   0.04   0.01    -0.00  -0.04   0.00
     3   8     0.06   0.02   0.03     0.03  -0.00   0.02    -0.03   0.02  -0.01
     4   6    -0.02   0.33   0.35    -0.16  -0.21   0.06     0.32   0.24  -0.10
     5   6     0.19   0.08  -0.29    -0.15   0.47  -0.15    -0.24   0.12   0.13
     6   6    -0.06  -0.03   0.14     0.01   0.03  -0.02     0.03   0.03  -0.01
     7   8    -0.03   0.00  -0.04    -0.02   0.01  -0.00     0.02   0.01   0.01
     8   8    -0.15  -0.19  -0.12     0.04   0.09   0.04    -0.08  -0.14  -0.04
     9   8     0.03  -0.04   0.04     0.13  -0.28   0.10     0.04  -0.13   0.02
    10   8     0.01  -0.01  -0.02     0.01  -0.09  -0.00     0.00  -0.03   0.00
    11   1    -0.16   0.29   0.35     0.20  -0.36  -0.02     0.45   0.14  -0.15
    12   1     0.08  -0.00  -0.25     0.17   0.50  -0.19    -0.41   0.06   0.18
    13   1     0.03   0.07  -0.06     0.01  -0.08  -0.03    -0.01  -0.04   0.03
    14   1    -0.03   0.03  -0.01     0.05  -0.01  -0.01     0.02   0.01   0.00
    15   1     0.29   0.16   0.12    -0.01   0.04   0.05    -0.15  -0.20  -0.08
    16   1     0.06  -0.27   0.06     0.07   0.10   0.06    -0.03   0.40  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1209.3791              1242.2233              1258.9457
 Red. masses --      1.4098                 1.4549                 1.3303
 Frc consts  --      1.2149                 1.3228                 1.2423
 IR Inten    --     87.2214                 7.4658                 8.2811
 RamAct Fr= 1--      7.6999                 3.0386                 4.3019
  Dep-P Fr= 1--      0.4998                 0.2597                 0.2578
  Dep-U Fr= 1--      0.6664                 0.4123                 0.4099
 Alpha2 Fr= 1--      0.0381                 0.0350                 0.0499
 Beta2  Fr= 1--      0.8553                 0.2088                 0.2939
 AlphaG Fr= 1--      0.0617                -0.0056                -0.0512
 Gamma2 Fr= 1--     -0.0273                -0.9118                 1.3545
 Delta2 Fr= 1--      0.4189                -0.6757                 1.1302
 Raman1 Fr= 1--      30.799                 12.154                 17.207
 ROA1   Fr= 1--      10.780               -109.151                166.202
 CID1   Fr= 1--       0.350                 -8.980                  9.659
 Raman2 Fr= 1--      10.263                  2.506                  3.526
 ROA2   Fr= 1--      -4.008                -16.477                 23.468
 CID2   Fr= 1--      -0.390                 -6.575                  6.655
 Raman3 Fr= 1--      20.526                  5.012                  7.053
 ROA3   Fr= 1--      10.780               -109.151                166.202
 CID3   Fr= 1--       0.525                -21.779                 23.565
 RC180  Fr= 1--       0.333                 -0.175                 -0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.03  -0.02    -0.08   0.02  -0.06     0.10  -0.02   0.05
     2   8     0.02   0.05   0.00    -0.01  -0.04   0.01     0.01   0.04  -0.01
     3   8    -0.07  -0.05   0.00     0.05   0.03   0.01    -0.04  -0.04  -0.01
     4   6     0.01   0.01  -0.00    -0.04   0.04   0.05     0.00  -0.01   0.02
     5   6    -0.01  -0.00   0.03    -0.04  -0.08   0.05    -0.01  -0.04  -0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.04  -0.06    -0.01  -0.03  -0.04
     7   8     0.00  -0.00   0.00     0.02   0.00   0.01     0.02  -0.00   0.01
     8   8    -0.06   0.01  -0.01    -0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   8     0.00   0.01  -0.00    -0.01   0.00  -0.01    -0.01  -0.03   0.02
    10   8    -0.01  -0.00   0.00    -0.01   0.03   0.01    -0.01   0.02   0.00
    11   1     0.22  -0.38  -0.07     0.50  -0.26  -0.07    -0.20   0.46   0.10
    12   1    -0.02  -0.05   0.03     0.61   0.29  -0.07     0.28   0.55  -0.08
    13   1     0.00   0.05   0.00    -0.01   0.01  -0.01    -0.00   0.10   0.01
    14   1    -0.48   0.01  -0.10     0.23   0.00   0.02    -0.35   0.01  -0.04
    15   1     0.50   0.45   0.25     0.13   0.10   0.06    -0.15  -0.13  -0.07
    16   1     0.01  -0.03  -0.01    -0.04   0.30  -0.06    -0.05   0.37  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.5522              1306.9930              1363.2381
 Red. masses --      2.8441                 1.1794                 1.2036
 Frc consts  --      2.8257                 1.1870                 1.3179
 IR Inten    --    119.4982                56.8636                14.5788
 RamAct Fr= 1--      5.7162                 3.9121                 5.2534
  Dep-P Fr= 1--      0.3841                 0.2963                 0.7497
  Dep-U Fr= 1--      0.5550                 0.4572                 0.8570
 Alpha2 Fr= 1--      0.0448                 0.0406                 0.0000
 Beta2  Fr= 1--      0.5287                 0.2981                 0.7503
 AlphaG Fr= 1--     -0.0037                 0.0341                -0.0007
 Gamma2 Fr= 1--      0.6242                -1.9668                -0.0604
 Delta2 Fr= 1--     -0.3404                 0.3847                -2.0182
 Raman1 Fr= 1--      22.865                 15.648                 21.014
 ROA1   Fr= 1--      49.034               -176.505                -70.386
 CID1   Fr= 1--       2.145                -11.280                 -3.350
 Raman2 Fr= 1--       6.345                  3.577                  9.004
 ROA2   Fr= 1--      17.705                -50.282                 14.695
 CID2   Fr= 1--       2.791                -14.057                  1.632
 Raman3 Fr= 1--      12.689                  7.154                 18.008
 ROA3   Fr= 1--      49.034               -176.505                -70.386
 CID3   Fr= 1--       3.864                -24.673                 -3.909
 RC180  Fr= 1--       0.110                 -0.086                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.02  -0.01   0.00    -0.04   0.00  -0.01
     2   8    -0.01   0.03  -0.00     0.01   0.02  -0.00     0.00   0.01   0.00
     3   8    -0.00  -0.00   0.00     0.00  -0.02   0.00     0.02  -0.00   0.00
     4   6     0.01  -0.01   0.03    -0.06  -0.01   0.03    -0.05  -0.03  -0.01
     5   6     0.02  -0.06   0.01    -0.04   0.05   0.04     0.04  -0.06  -0.00
     6   6     0.07   0.30   0.03     0.00  -0.01   0.00     0.02   0.05   0.01
     7   8    -0.10   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.00  -0.01
     8   8    -0.00   0.00  -0.01     0.01  -0.01  -0.03    -0.01   0.00  -0.02
     9   8    -0.05  -0.03  -0.02     0.01   0.02  -0.02     0.01   0.01   0.02
    10   8     0.07  -0.16   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    11   1    -0.12   0.08   0.07     0.52   0.47  -0.03     0.48   0.31  -0.08
    12   1     0.36  -0.28  -0.06     0.28  -0.49  -0.01    -0.49   0.54   0.09
    13   1    -0.02  -0.54  -0.00     0.00   0.00   0.02    -0.02  -0.22  -0.01
    14   1    -0.06   0.00  -0.01    -0.25   0.01  -0.04    -0.05   0.01  -0.02
    15   1     0.05   0.04   0.02    -0.17  -0.15  -0.06     0.08   0.07   0.03
    16   1    -0.09   0.53  -0.13     0.03  -0.24   0.01     0.04  -0.21   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1378.7156              1409.1806              1435.4982
 Red. masses --      1.4234                 1.5321                 2.1873
 Frc consts  --      1.5941                 1.7925                 2.6556
 IR Inten    --    393.5274               119.0174               133.4021
 RamAct Fr= 1--      4.7926                 1.9773                 1.5606
  Dep-P Fr= 1--      0.3123                 0.5335                 0.3567
  Dep-U Fr= 1--      0.4759                 0.6958                 0.5259
 Alpha2 Fr= 1--      0.0474                 0.0083                 0.0134
 Beta2  Fr= 1--      0.3802                 0.2293                 0.1368
 AlphaG Fr= 1--      0.0270                 0.0319                -0.0076
 Gamma2 Fr= 1--     -1.3028                 1.2395                 0.5221
 Delta2 Fr= 1--      0.0138                 0.4703                 0.6740
 Raman1 Fr= 1--      19.170                  7.909                  6.243
 ROA1   Fr= 1--    -124.628                134.042                 71.690
 CID1   Fr= 1--      -6.501                 16.948                 11.484
 Raman2 Fr= 1--       4.562                  2.751                  1.641
 ROA2   Fr= 1--     -31.378                 25.986                  7.139
 CID2   Fr= 1--      -6.878                  9.445                  4.350
 Raman3 Fr= 1--       9.124                  5.503                  3.283
 ROA3   Fr= 1--    -124.628                134.042                 71.690
 CID3   Fr= 1--     -13.660                 24.359                 21.839
 RC180  Fr= 1--      -0.048                  0.392                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01   0.02     0.08  -0.02  -0.00     0.19  -0.04   0.01
     2   8    -0.03  -0.03  -0.00    -0.01  -0.01   0.00    -0.03  -0.01   0.00
     3   8    -0.08   0.04  -0.01    -0.04   0.01  -0.00    -0.09   0.01  -0.01
     4   6     0.04  -0.08   0.01    -0.10   0.02  -0.00    -0.11   0.15  -0.00
     5   6    -0.05   0.01   0.00     0.14   0.03   0.02    -0.07  -0.05  -0.01
     6   6     0.01   0.01  -0.01    -0.03   0.01   0.01     0.04   0.06   0.00
     7   8     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.04   0.00  -0.03     0.01  -0.01   0.00     0.06  -0.01   0.02
     9   8     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.03   0.02   0.01
    10   8    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.03   0.00
    11   1    -0.03   0.45   0.07     0.34  -0.00  -0.09     0.08  -0.46  -0.09
    12   1     0.15   0.01  -0.03    -0.36  -0.18   0.11     0.10   0.25  -0.05
    13   1     0.01   0.08   0.01     0.04   0.44   0.01     0.00  -0.14   0.01
    14   1     0.71  -0.06   0.10     0.27  -0.03   0.03     0.28  -0.04   0.05
    15   1     0.32   0.28   0.13    -0.08  -0.07  -0.05    -0.37  -0.35  -0.16
    16   1     0.03  -0.16   0.02    -0.09   0.60  -0.11     0.08  -0.45   0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1476.1282              1783.6291              1817.0414
 Red. masses --      1.4953                 8.8286                 8.3662
 Frc consts  --      1.9197                16.5482                16.2746
 IR Inten    --    181.8951               376.9580               266.8064
 RamAct Fr= 1--      1.3053                30.8536                10.0046
  Dep-P Fr= 1--      0.1876                 0.0979                 0.6591
  Dep-U Fr= 1--      0.3159                 0.1783                 0.7945
 Alpha2 Fr= 1--      0.0183                 0.5430                 0.0162
 Beta2  Fr= 1--      0.0687                 0.9167                 1.3248
 AlphaG Fr= 1--      0.0004                -0.0039                 0.0596
 Gamma2 Fr= 1--     -0.4527                -0.5473                 1.0926
 Delta2 Fr= 1--     -0.0310                -0.2517                 0.3187
 Raman1 Fr= 1--       5.221                123.414                 40.018
 ROA1   Fr= 1--     -44.451                -60.598                115.090
 CID1   Fr= 1--      -8.514                 -0.491                  2.876
 Raman2 Fr= 1--       0.825                 11.001                 15.898
 ROA2   Fr= 1--     -10.617                -11.123                 23.673
 CID2   Fr= 1--     -12.874                 -1.011                  1.489
 Raman3 Fr= 1--       1.649                 22.001                 31.795
 ROA3   Fr= 1--     -44.451                -60.598                115.090
 CID3   Fr= 1--     -26.951                 -2.754                  3.620
 RC180  Fr= 1--      -0.368                 -0.643                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.00     0.15   0.50  -0.03    -0.14  -0.42   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.30   0.02     0.08   0.24  -0.02
     3   8     0.03  -0.00   0.00     0.00  -0.05   0.00     0.01   0.04  -0.00
     4   6     0.02  -0.00   0.00    -0.00  -0.05   0.00    -0.01   0.02  -0.01
     5   6    -0.05  -0.04  -0.01    -0.00   0.00  -0.01    -0.02  -0.00   0.00
     6   6     0.02   0.13  -0.01     0.42  -0.13   0.09     0.45  -0.21   0.09
     7   8     0.03  -0.03   0.01    -0.26   0.07  -0.06    -0.28   0.08  -0.06
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
     9   8     0.01   0.01   0.00    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.00    -0.06   0.01  -0.01    -0.05   0.03  -0.00
    11   1    -0.04  -0.01   0.01     0.02   0.05   0.01     0.02  -0.02  -0.01
    12   1     0.08   0.14  -0.03    -0.04  -0.04   0.00     0.00  -0.04   0.02
    13   1     0.11   0.91   0.01     0.17   0.32   0.05    -0.01   0.51  -0.03
    14   1    -0.13   0.01  -0.02    -0.39   0.05  -0.05     0.31  -0.03   0.04
    15   1    -0.01  -0.00   0.00    -0.02  -0.02  -0.01     0.03   0.04   0.01
    16   1     0.04  -0.26   0.05    -0.07   0.22  -0.03    -0.04   0.15  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2997.8213              3014.5678              3175.9377
 Red. masses --      1.0807                 1.0839                 1.0747
 Frc consts  --      5.7223                 5.8035                 6.3868
 IR Inten    --     10.9764                16.6138              1049.7139
 RamAct Fr= 1--    176.8829                 7.4376               102.0201
  Dep-P Fr= 1--      0.1693                 0.2055                 0.2290
  Dep-U Fr= 1--      0.2895                 0.3409                 0.3727
 Alpha2 Fr= 1--      2.6030                 0.0995                 1.2814
 Beta2  Fr= 1--      8.5355                 0.4226                 6.3367
 AlphaG Fr= 1--      0.3407                 0.0391                -0.1278
 Gamma2 Fr= 1--      3.5227                -2.0295                -2.4011
 Delta2 Fr= 1--      4.1839                -4.4602                 0.8935
 Raman1 Fr= 1--     707.531                 29.750                408.080
 ROA1   Fr= 1--     472.064               -337.558               -201.913
 CID1   Fr= 1--       0.667                -11.346                 -0.495
 Raman2 Fr= 1--     102.426                  5.071                 76.041
 ROA2   Fr= 1--      51.074                -13.026                -64.774
 CID2   Fr= 1--       0.499                 -2.569                 -0.852
 Raman3 Fr= 1--     204.853                 10.142                152.081
 ROA3   Fr= 1--     472.064               -337.558               -201.913
 CID3   Fr= 1--       2.304                -33.284                 -1.328
 RC180  Fr= 1--      -0.421                 -0.318                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.04    -0.01   0.01  -0.07     0.00   0.00  -0.00
     5   6    -0.01  -0.00  -0.07    -0.01  -0.00  -0.04     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.01  -0.00
    11   1    -0.10   0.04  -0.53     0.15  -0.07   0.82    -0.00   0.00   0.00
    12   1     0.15   0.01   0.82     0.09   0.01   0.53    -0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.98  -0.16   0.07
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    16   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3596.8318              3608.6584              3753.5768
 Red. masses --      1.0646                 1.0645                 1.0657
 Frc consts  --      8.1146                 8.1676                 8.8468
 IR Inten    --    180.5898               183.5280                88.7759
 RamAct Fr= 1--     54.7613                46.8612                58.0736
  Dep-P Fr= 1--      0.0688                 0.1080                 0.1469
  Dep-U Fr= 1--      0.1287                 0.1950                 0.2562
 Alpha2 Fr= 1--      1.0342                 0.8044                 0.9048
 Beta2  Fr= 1--      1.1745                 1.5230                 2.4799
 AlphaG Fr= 1--     -0.1241                -0.0210                -0.1518
 Gamma2 Fr= 1--     -1.1004                 1.7698                -0.3058
 Delta2 Fr= 1--     -0.2222                 0.2736                -0.6338
 Raman1 Fr= 1--     219.045                187.445                232.294
 ROA1   Fr= 1--    -112.747                178.651                -49.639
 CID1   Fr= 1--      -0.515                  0.953                 -0.214
 Raman2 Fr= 1--      14.094                 18.276                 29.758
 ROA2   Fr= 1--     -24.632                 40.286                 -2.268
 CID2   Fr= 1--      -1.748                  2.204                 -0.076
 Raman3 Fr= 1--      28.188                 36.552                 59.517
 ROA3   Fr= 1--    -112.747                178.651                -49.639
 CID3   Fr= 1--      -4.000                  4.888                 -0.834
 RC180  Fr= 1--      -0.743                 -0.610                 -0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.00  -0.00    -0.01  -0.06   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.01
     9   8    -0.06  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.02   0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01  -0.05   0.00     0.13   0.99  -0.02    -0.00  -0.05   0.00
    15   1     0.01  -0.02   0.00    -0.03   0.03  -0.00    -0.59   0.80  -0.10
    16   1     0.96   0.13   0.22     0.05   0.01   0.01     0.02   0.00   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   860.390701690.060542490.25697
           X            0.99999   0.00482  -0.00227
           Y           -0.00483   0.99998  -0.00298
           Z            0.00226   0.00299   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10067     0.05125     0.03478
 Rotational constants (GHZ):           2.09758     1.06786     0.72472
 Zero-point vibrational energy     303734.1 (Joules/Mol)
                                   72.59420 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     75.95   100.81   143.73   355.68   359.08
          (Kelvin)            472.63   499.55   528.92   565.96   643.28
                              720.59   744.35   805.10   857.40   952.20
                             1033.50  1087.58  1094.64  1285.83  1307.17
                             1335.68  1528.73  1572.64  1573.28  1740.03
                             1787.28  1811.34  1868.33  1880.47  1961.40
                             1983.66  2027.50  2065.36  2123.82  2566.24
                             2614.32  4313.20  4337.29  4569.47  5175.04
                             5192.05  5400.56
 
 Zero-point correction=                           0.115686 (Hartree/Particle)
 Thermal correction to Energy=                    0.125067
 Thermal correction to Enthalpy=                  0.126011
 Thermal correction to Gibbs Free Energy=         0.080413
 Sum of electronic and zero-point Energies=           -607.574404
 Sum of electronic and thermal Energies=              -607.565024
 Sum of electronic and thermal Enthalpies=            -607.564080
 Sum of electronic and thermal Free Energies=         -607.609677
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.480             34.486             95.968
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.672
 Vibrational             76.703             28.524             25.369
 Vibration     1          0.596              1.976              4.710
 Vibration     2          0.598              1.968              4.152
 Vibration     3          0.604              1.949              3.456
 Vibration     4          0.661              1.767              1.750
 Vibration     5          0.662              1.763              1.734
 Vibration     6          0.712              1.619              1.267
 Vibration     7          0.725              1.581              1.179
 Vibration     8          0.740              1.539              1.090
 Vibration     9          0.761              1.484              0.987
 Vibration    10          0.806              1.367              0.805
 Vibration    11          0.856              1.248              0.656
 Vibration    12          0.872              1.212              0.616
 Vibration    13          0.915              1.119              0.525
 Vibration    14          0.954              1.040              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.102917D-36        -36.987512        -85.166893
 Total V=0       0.167652D+17         16.224409         37.358082
 Vib (Bot)       0.209199D-50        -50.679440       -116.693724
 Vib (Bot)    1  0.391510D+01          0.592742          1.364840
 Vib (Bot)    2  0.294352D+01          0.468868          1.079608
 Vib (Bot)    3  0.205439D+01          0.312684          0.719981
 Vib (Bot)    4  0.790535D+00         -0.102079         -0.235046
 Vib (Bot)    5  0.782181D+00         -0.106693         -0.245669
 Vib (Bot)    6  0.569316D+00         -0.244647         -0.563320
 Vib (Bot)    7  0.532343D+00         -0.273809         -0.630468
 Vib (Bot)    8  0.496046D+00         -0.304478         -0.701086
 Vib (Bot)    9  0.455301D+00         -0.341701         -0.786796
 Vib (Bot)   10  0.384453D+00         -0.415156         -0.955933
 Vib (Bot)   11  0.327913D+00         -0.484241         -1.115006
 Vib (Bot)   12  0.312756D+00         -0.504794         -1.162331
 Vib (Bot)   13  0.277868D+00         -0.556162         -1.280610
 Vib (Bot)   14  0.251620D+00         -0.599255         -1.379836
 Vib (V=0)       0.340785D+03          2.532480          5.831251
 Vib (V=0)    1  0.444689D+01          0.648057          1.492206
 Vib (V=0)    2  0.348569D+01          0.542289          1.248666
 Vib (V=0)    3  0.261436D+01          0.417366          0.961021
 Vib (V=0)    4  0.143539D+01          0.156968          0.361433
 Vib (V=0)    5  0.142834D+01          0.154830          0.356510
 Vib (V=0)    6  0.125771D+01          0.099580          0.229291
 Vib (V=0)    7  0.123033D+01          0.090023          0.207286
 Vib (V=0)    8  0.120432D+01          0.080741          0.185912
 Vib (V=0)    9  0.117624D+01          0.070496          0.162322
 Vib (V=0)   10  0.113072D+01          0.053354          0.122852
 Vib (V=0)   11  0.109794D+01          0.040577          0.093432
 Vib (V=0)   12  0.108976D+01          0.037331          0.085957
 Vib (V=0)   13  0.107202D+01          0.030204          0.069548
 Vib (V=0)   14  0.105974D+01          0.025201          0.058027
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.681187D+06          5.833267         13.431593
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    33             3    32                                       11         111111111 1  111                                   
     7    65             1    09                                       87         444333222 2  000  998   777 6 5 55543333 22    1   
     5    09             7    19                                       18         730760954 0  996  209   651 6 9 61049642 54    075 
     4    97             6    58                                       74         659937992 9  333  894   168 2 6 07173878 07    003 
 
     X    XX             X    XX                                       XX         XXXXXXXXX X  XXX  XXX   XXX X X XXXXXXXX XX    XXX 
     X    XX             X                                             XX         XXXX  X   X  X      X              X               
          XX             X                                             XX         XX X                               X               
                         X                                             XX            X                                               
                         X                                             XX            X                                               
                         X                                              X            X                                               
                         X                                              X            X                                               
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007738   -0.000008173   -0.000001522
      2        8           0.000001648   -0.000001295    0.000001220
      3        8           0.000001751    0.000002442    0.000001220
      4        6           0.000477780    0.008318076    0.000708473
      5        6          -0.000037645    0.008343015   -0.000231519
      6        6           0.000000992   -0.000001732   -0.000001707
      7        8           0.000004496   -0.000004917    0.000001812
      8        8           0.000005405    0.000002382   -0.000001042
      9        8          -0.000004796    0.000001437    0.000004323
     10        8          -0.000001287    0.000004163    0.000000540
     11        1          -0.000391200   -0.008323578   -0.000567945
     12        1          -0.000045168   -0.008343739    0.000085983
     13        1           0.000000009    0.000007618   -0.000003661
     14        1          -0.000001640   -0.000000241    0.000004678
     15        1          -0.000000508    0.000001804   -0.000000544
     16        1          -0.000002098    0.000002738   -0.000000309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008343739 RMS     0.002410770
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.902497D+02  0.663275D+00  0.254819D+01
      2   0.663275D+00  0.804516D+02 -0.982550D+00
      3   0.254819D+01 -0.982550D+00  0.541201D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.270181D+01 -0.103450D+01 -0.683892D+01
      2  -0.294053D+01 -0.141084D+01 -0.421427D+01
      3  -0.116656D+02 -0.369423D+00 -0.487060D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.105275D+02  0.142228D+02 -0.839634D+01
      2   0.435655D+01 -0.701753D+01  0.553782D+01
      3   0.617092D+01 -0.720531D+01  0.285852D+01
      4   0.177135D+02 -0.442492D+01 -0.115079D+00
      5  -0.818758D+01  0.479799D+00 -0.478519D+01
      6  -0.780125D+00  0.112290D+01  0.160605D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.267501D+01 -0.912031D+00 -0.199087D+00  0.256583D+01  0.208842D+01
      2  -0.912031D+00  0.282478D+01  0.822094D-01  0.208842D+01  0.560171D+01
      3  -0.199087D+00  0.822094D-01  0.658983D+00 -0.125488D+00 -0.446544D+00
                 6             7             8             9            10 
      1  -0.125488D+00 -0.104467D+01  0.752032D+00  0.486018D+00 -0.282289D+01
      2  -0.446544D+00  0.752032D+00 -0.577050D+00  0.168741D+00 -0.212546D+01
      3   0.908872D-01  0.486018D+00  0.168741D+00 -0.547461D+00  0.206294D+00
                11            12            13            14            15 
      1  -0.212546D+01  0.206294D+00 -0.586825D+01 -0.483854D+00  0.131350D+00
      2  -0.132940D+01  0.148968D+00 -0.483854D+00 -0.119188D+02  0.447790D+00
      3   0.148968D+00 -0.612365D+00  0.131350D+00  0.447790D+00 -0.185979D+01
                16            17            18            19            20 
      1   0.302604D+00  0.570813D-01 -0.432477D+00  0.999793D+01 -0.393806D+00
      2   0.570813D-01  0.425462D+00 -0.269414D+01 -0.393806D+00  0.288523D+00
      3  -0.432477D+00 -0.269414D+01  0.512488D+00  0.290454D+00  0.109704D+00
                21            22            23            24            25 
      1   0.290454D+00 -0.263580D+01  0.896294D+00  0.673726D-01  0.133345D+01
      2   0.109704D+00  0.896294D+00 -0.399507D+01  0.130730D+00 -0.369570D+00
      3   0.116083D+01  0.673726D-01  0.130730D+00 -0.125647D+00  0.239052D+01
                26            27            28            29            30 
      1  -0.369570D+00  0.239052D+01  0.427259D+01 -0.103070D+01 -0.618264D+00
      2   0.225334D+00  0.164516D+00 -0.103070D+01 -0.165665D+01 -0.494772D+00
      3   0.164516D+00  0.424397D+00 -0.618264D+00 -0.494772D+00  0.176500D+01
                31            32            33            34            35 
      1  -0.164186D+01 -0.268212D+01  0.106078D+00 -0.188654D+01 -0.100914D+01
      2  -0.268212D+01 -0.247279D+01 -0.315713D+00 -0.100914D+01  0.109750D+00
      3   0.106078D+00 -0.315713D+00  0.169114D+00  0.173519D+01 -0.530040D+00
                36            37            38            39            40 
      1   0.173519D+01 -0.478101D+01  0.155772D+01  0.306259D+00 -0.830728D+00
      2  -0.530040D+00  0.155772D+01  0.200531D+01 -0.287196D-02  0.250991D+01
      3   0.705579D+01  0.306259D+00 -0.287196D-02 -0.168818D+01  0.199482D+00
                41            42            43            44            45 
      1   0.250991D+01  0.199482D+00  0.980276D+00 -0.915209D+00 -0.196107D+01
      2  -0.101928D+01  0.405059D+00 -0.915209D+00  0.389976D+00  0.736899D+00
      3   0.405059D+00  0.890097D+00 -0.196107D+01  0.736899D+00 -0.740529D+01
                46            47            48            49            50 
      1   0.716632D+01 -0.255451D+01  0.119071D+01 -0.515347D+01 -0.201595D+01
      2  -0.255451D+01  0.104636D+01 -0.387683D-01 -0.201595D+01  0.498959D+00
      3   0.119071D+01 -0.387683D-01  0.615532D+00 -0.308337D+00 -0.342077D+00
                51            52            53            54            55 
      1  -0.308337D+00  0.210838D+01  0.225969D+00  0.242932D+00 -0.156166D+02
      2  -0.342077D+00  0.225969D+00  0.409390D+00 -0.601735D+00  0.145140D+01
      3  -0.106550D+01  0.242932D+00 -0.601735D+00  0.861262D+00 -0.141472D+01
                56            57            58            59            60 
      1   0.145140D+01 -0.141472D+01  0.222696D+01 -0.202521D+01  0.156687D+00
      2  -0.401285D+01  0.155894D+00 -0.202521D+01  0.183200D+01 -0.320815D+00
      3   0.155894D+00 -0.237530D+01  0.156687D+00 -0.320815D+00  0.885654D+00
                61            62            63            64            65 
      1  -0.226187D+01 -0.713708D-01 -0.355765D+01  0.552130D+01  0.159992D+01
      2  -0.713708D-01 -0.893763D+00  0.464347D+00  0.159992D+01  0.503375D+01
      3  -0.355765D+01  0.464347D+00 -0.166770D+01  0.507166D+00  0.306386D-01
                66            67            68            69            70 
      1   0.507166D+00  0.857232D+00  0.403428D+01 -0.178362D+00  0.118790D+01
      2   0.306386D-01  0.403428D+01  0.143132D+01  0.446630D+00  0.492606D+00
      3   0.424896D-01 -0.178362D+00  0.446630D+00 -0.450121D+00  0.595019D+00
                71            72            73            74            75 
      1   0.492606D+00  0.595019D+00  0.270579D+01  0.154137D+01  0.237555D+00
      2   0.125823D+01  0.109686D+01  0.154137D+01  0.155786D+01 -0.303756D+00
      3   0.109686D+01  0.115782D+00  0.237555D+00 -0.303756D+00  0.967319D+00
                76            77            78            79            80 
      1   0.250897D+01 -0.166981D+01 -0.435576D+00  0.813571D+00  0.330608D-01
      2  -0.166981D+01  0.736862D+01  0.129558D+00  0.330608D-01  0.382711D+00
      3  -0.435576D+00  0.129558D+00  0.860832D-01 -0.258460D+00  0.116610D+01
                81            82            83            84            85 
      1  -0.258460D+00 -0.882192D+01 -0.143878D+01  0.157480D-01  0.110263D+01
      2   0.116610D+01 -0.143878D+01 -0.141278D+01  0.163051D+00 -0.334493D+00
      3   0.487017D+00  0.157480D-01  0.163051D+00 -0.154263D+00  0.274903D+00
                86            87            88            89            90 
      1  -0.334493D+00  0.274903D+00 -0.299227D+00  0.158150D+00  0.112812D+00
      2  -0.795102D+01  0.114378D+00  0.158150D+00 -0.193293D+00 -0.203186D+01
      3   0.114378D+00 -0.950253D+00  0.112812D+00 -0.203186D+01  0.942192D-01
                91            92            93            94            95 
      1  -0.168463D+01  0.129782D+00 -0.112062D+01  0.295169D+00  0.437776D+00
      2   0.129782D+00 -0.113776D-01  0.874770D-01  0.437776D+00  0.680103D+00
      3  -0.112062D+01  0.874770D-01 -0.145190D+01 -0.600843D-01 -0.118151D+01
                96            97            98            99           100 
      1  -0.600843D-01 -0.146281D+01  0.307037D+00 -0.655175D+00  0.171179D+01
      2  -0.118151D+01  0.307037D+00 -0.188749D+01  0.655731D+00 -0.257539D+00
      3   0.618015D+00 -0.655175D+00  0.655731D+00 -0.837565D+01  0.121718D+01
               101           102           103           104           105 
      1  -0.257539D+00  0.121718D+01 -0.187318D+00 -0.386213D+00  0.133821D-01
      2  -0.152934D+00 -0.193847D-01 -0.386213D+00  0.286587D+00  0.113469D+01
      3  -0.193847D-01  0.148939D+01  0.133821D-01  0.113469D+01  0.280936D+00
               106           107           108           109           110 
      1   0.177691D+01  0.245819D+00  0.106949D+01  0.978568D+01 -0.528245D+00
      2   0.245819D+00  0.156073D+01  0.852267D-01 -0.528245D+00  0.143007D+01
      3   0.106949D+01  0.852267D-01  0.878533D+01 -0.102716D+00 -0.876557D-01
               111           112           113           114           115 
      1  -0.102716D+00 -0.414768D+00  0.334855D+00 -0.741231D-01  0.356242D+00
      2  -0.876557D-01  0.334855D+00 -0.181526D+01  0.999742D-01 -0.106953D+00
      3   0.404014D+00 -0.741231D-01  0.999742D-01 -0.580285D+00 -0.459283D-01
               116           117           118           119           120 
      1  -0.106953D+00 -0.459283D-01  0.232531D+01  0.144995D+01  0.254609D-01
      2   0.245949D+00 -0.585160D+00  0.144995D+01  0.825262D+00  0.415419D-01
      3  -0.585160D+00  0.133893D+00  0.254609D-01  0.415419D-01  0.752038D+00
               121           122           123           124           125 
      1   0.424114D+01  0.115775D+01  0.105346D+00 -0.147314D+00  0.341062D-01
      2   0.115775D+01  0.474766D+01 -0.391133D-01  0.341062D-01 -0.537306D-01
      3   0.105346D+00 -0.391133D-01  0.589251D+00  0.764696D+00  0.385539D+00
               126           127           128           129           130 
      1   0.764696D+00 -0.172639D+01  0.815682D+00 -0.334979D-01  0.221782D+01
      2   0.385539D+00  0.815682D+00 -0.269495D+01 -0.171683D-01 -0.929261D+00
      3   0.102314D+00 -0.334979D-01 -0.171683D-01 -0.244725D+00  0.213838D-01
               131           132           133           134           135 
      1  -0.929261D+00  0.213838D-01 -0.423424D+00  0.754130D-01  0.154422D+00
      2   0.683464D+01 -0.161579D+00  0.754130D-01 -0.569389D+00  0.923985D+00
      3  -0.161579D+00  0.113867D+01  0.154422D+00  0.923985D+00 -0.689913D-01
               136           137           138           139           140 
      1  -0.535827D+01  0.695244D+00 -0.507928D+00  0.716448D+00 -0.932379D+00
      2   0.695244D+00 -0.374097D+01  0.144893D+00 -0.932379D+00 -0.109397D+00
      3  -0.507928D+00  0.144893D+00 -0.132886D+01  0.105987D+00 -0.101449D+00
               141           142           143           144 
      1   0.105987D+00 -0.133348D+01  0.909726D-01 -0.640333D+00
      2  -0.101449D+00  0.909726D-01 -0.832824D+00  0.594989D+00
      3   0.282893D+00 -0.640333D+00  0.594989D+00 -0.507399D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114585D+00 -0.527371D+00  0.122888D+01 -0.300001D+01  0.966472D+00
      2   0.123596D+01 -0.175066D+01 -0.536409D+01 -0.302221D+01 -0.369095D+00
      3   0.122634D+01 -0.511705D+01  0.877191D+00 -0.938654D+01 -0.677239D+01
                 6             7             8             9            10 
      1   0.820770D+01 -0.121945D+01  0.109278D+02 -0.197103D+01  0.431870D+00
      2   0.992198D-01 -0.150538D+02  0.327847D+01 -0.291356D+01 -0.280677D+00
      3   0.156125D+01  0.350401D+01  0.184214D+01 -0.170075D+01  0.739134D+01
                11            12            13            14            15 
      1   0.467300D+00 -0.724867D+00  0.249867D+00  0.177748D+01 -0.106463D+02
      2   0.261062D+00  0.351444D+01  0.163290D+00  0.621199D+00 -0.155500D+01
      3  -0.127466D+01 -0.721246D+00  0.193070D+02  0.176185D+02 -0.107943D+01
                16            17            18            19            20 
      1   0.168545D+01 -0.699849D+00  0.129855D+01  0.530266D+00 -0.139032D+00
      2  -0.247715D+01 -0.538755D+01  0.116595D+01  0.156314D+01  0.154485D+00
      3  -0.183105D+01 -0.467194D+00  0.529604D+01 -0.285475D+01 -0.773399D+01
                21            22            23            24            25 
      1  -0.197898D+00  0.558916D+00 -0.792213D+00 -0.236491D+01  0.193036D+01
      2   0.942830D+01  0.104073D+01  0.292954D+00 -0.154496D+01  0.543599D+01
      3  -0.253703D+00  0.130846D+01  0.174502D+02 -0.161477D+00 -0.107164D+01
                26            27            28            29            30 
      1   0.132446D+01  0.436257D+00  0.209716D+01  0.525804D+00  0.163971D+01
      2  -0.196703D+01  0.174569D+01 -0.211775D+01  0.130132D+00  0.217342D+01
      3  -0.151372D+01 -0.139023D+01 -0.114862D+01 -0.192225D+01 -0.761116D-01
                31            32            33            34            35 
      1   0.296257D+01  0.169386D+01 -0.152199D+01 -0.296582D+00  0.172239D+01
      2   0.179073D+01 -0.203746D+00 -0.241665D+01 -0.361656D+01 -0.782684D+00
      3   0.627009D+01  0.105034D+01 -0.470980D+00  0.722154D-01 -0.121830D+01
                36            37            38            39            40 
      1  -0.723259D+00 -0.223523D+01  0.194310D+01 -0.161349D+01  0.107392D+01
      2   0.285966D+01  0.934309D-01 -0.270270D+00  0.271922D+01 -0.153016D+01
      3   0.989149D+00  0.184120D+01 -0.977681D+00  0.363547D+00  0.697676D+01
                41            42            43            44            45 
      1  -0.284892D+00 -0.136807D+01  0.214136D+00  0.215888D+01  0.125962D+01
      2  -0.500579D+00  0.204320D+01 -0.389381D+01 -0.119993D+01  0.302335D+01
      3   0.201521D+01  0.432174D+00  0.137852D+00 -0.538173D+00 -0.291432D+00
                46            47            48            49            50 
      1   0.118781D+01 -0.511640D+01 -0.982832D+00 -0.332978D+01 -0.141676D+01
      2   0.295732D+01  0.231467D+01 -0.906520D+01  0.275852D+01  0.105566D+01
      3  -0.591053D+01  0.871789D+01 -0.125742D+01  0.859836D+00 -0.355416D+01
                51            52            53            54            55 
      1   0.632761D+01  0.282411D+01  0.139179D+02  0.101023D+01 -0.131762D+01
      2   0.207393D+01 -0.139579D+02 -0.312362D+01 -0.540838D+01  0.136526D+01
      3   0.116518D+01 -0.117208D+01  0.599959D+01 -0.804181D+00  0.962911D+01
                56            57            58            59            60 
      1   0.231229D+01  0.203096D+00  0.857877D+00 -0.377981D+00 -0.361962D+01
      2  -0.780382D+00  0.145107D+02 -0.108363D+01  0.845991D+00 -0.155923D+01
      3  -0.217646D+02  0.117146D+01 -0.145250D+01  0.892969D+01 -0.920532D+00
                61            62            63            64            65 
      1  -0.293456D+01  0.130262D+01 -0.107896D+01 -0.760834D+00 -0.127331D+00
      2   0.560108D+01  0.148652D+01  0.501283D+01  0.788164D+00  0.519983D+00
      3   0.800420D+00 -0.486636D+01  0.305634D+01  0.131714D+02 -0.122875D+02
                66            67            68            69            70 
      1  -0.269544D+01 -0.669985D+00 -0.268239D+01 -0.410342D+01 -0.109159D+01
      2   0.405276D+01 -0.803607D+00  0.262421D+00  0.197753D+01 -0.155702D+01
      3   0.463261D+00 -0.478853D+01  0.615544D+01 -0.300856D+00  0.280429D+01
                71            72            73            74            75 
      1   0.330267D+01 -0.175522D+01 -0.154456D+01 -0.782037D+00 -0.255904D+00
      2   0.125830D+01  0.968070D+00  0.362218D+00 -0.518931D+00  0.192247D+01
      3  -0.141913D+01 -0.457641D+00  0.140674D+02  0.840152D+01  0.137493D+01
                76            77            78            79            80 
      1  -0.605109D+00  0.189171D+01 -0.648696D+01 -0.857102D-01  0.119194D+01
      2   0.686292D+00  0.335594D-01 -0.222911D+01 -0.294601D+01  0.149897D+00
      3   0.102523D+02  0.895138D+01 -0.473762D-01  0.257677D+01  0.206011D+01
                81            82            83            84            85 
      1   0.346796D+00  0.275855D+00  0.106360D+01 -0.750559D+00 -0.393843D+00
      2  -0.220657D+00  0.392061D+00 -0.462282D+00  0.383142D+01 -0.514335D+00
      3   0.110620D+01  0.249004D+02 -0.705114D+01  0.650165D-01  0.591387D+01
                86            87            88            89            90 
      1  -0.105274D+01 -0.801902D+01 -0.190093D+01 -0.248716D+01 -0.278895D+00
      2  -0.265382D+00  0.155062D+00 -0.974745D+00  0.425437D+01  0.491054D+00
      3  -0.875946D+01  0.238911D-01  0.137588D+01 -0.159375D+01 -0.353058D+01
                91            92            93            94            95 
      1   0.861435D-02  0.201673D+00  0.755149D+00  0.507273D+00 -0.795351D+00
      2  -0.193990D+01  0.453923D-01 -0.163181D+00 -0.117850D-01 -0.736566D+00
      3  -0.108205D+01 -0.447858D+00 -0.507614D+00  0.101285D+01 -0.432207D+00
                96            97            98            99           100 
      1  -0.289798D-01  0.290596D+00  0.310820D+01  0.261514D+01 -0.251747D+00
      2   0.144500D+00 -0.346329D+01  0.370584D+00 -0.453376D+01 -0.198869D+01
      3   0.651427D+00 -0.102614D+01  0.144672D+01 -0.934525D+00  0.598002D+00
               101           102           103           104           105 
      1   0.262444D+00 -0.720692D+00  0.139595D+00 -0.140214D+00 -0.126537D-01
      2  -0.203990D+00 -0.180984D+00  0.195753D+00 -0.506374D+00 -0.127245D+00
      3  -0.104580D+01  0.551001D+00  0.694353D+00 -0.359532D+00  0.690231D+00
               106           107           108           109           110 
      1  -0.486165D+00  0.300419D+01 -0.318284D+01 -0.700347D+00 -0.120658D+00
      2  -0.409013D+01  0.176551D+00 -0.470334D+01 -0.901161D+00  0.169237D+00
      3   0.625213D+00  0.699493D+00  0.356740D+00 -0.307866D+02  0.902773D+01
               111           112           113           114           115 
      1   0.107843D+01 -0.556088D-01  0.348050D-01 -0.609367D+00  0.166369D+00
      2  -0.323376D+01  0.155203D+00 -0.244842D+00  0.346812D+00 -0.311136D+01
      3   0.280721D+00  0.444798D+01 -0.218688D+01  0.218659D+00 -0.129655D+01
               116           117           118           119           120 
      1   0.370476D+00  0.172422D+00  0.372767D+00 -0.171989D+00 -0.960857D+00
      2   0.569792D+00  0.786272D-01  0.363318D-01 -0.149885D+00  0.111215D+01
      3   0.387631D+00 -0.231793D+00 -0.506203D+01 -0.151933D+01 -0.134633D+00
               121           122           123           124           125 
      1  -0.910826D-02  0.797831D+00  0.170526D-01  0.177904D+00  0.133816D+01
      2   0.138901D-01  0.110694D+00  0.287174D+01  0.613169D+00  0.167616D+01
      3  -0.209474D+01 -0.224345D+02 -0.112203D+00 -0.125344D+00  0.462284D+00
               126           127           128           129           130 
      1   0.436020D-01 -0.984112D-01 -0.690505D-01  0.102533D+01 -0.164388D+00
      2   0.630502D-01 -0.531240D+00  0.126175D+00 -0.636522D+00  0.381692D+00
      3  -0.100759D+01 -0.105153D+02  0.645287D+01  0.648925D-01  0.998310D+01
               131           132           133           134           135 
      1   0.260916D+00 -0.278676D+01 -0.304874D+00 -0.977406D+00  0.164902D+00
      2  -0.359713D+00  0.786798D+00 -0.144385D+01  0.836227D+00  0.198941D+00
      3  -0.131272D+02  0.188588D+00 -0.155576D+01  0.847243D+00 -0.547840D+00
               136           137           138           139           140 
      1   0.211899D+01  0.277660D+00  0.297196D+01  0.603862D+00  0.610911D+00
      2   0.239497D+00 -0.761827D-01  0.243960D+01 -0.220387D+00 -0.361774D-01
      3  -0.157972D+02 -0.116841D+02 -0.176980D+01 -0.417930D+01 -0.421296D+01
               141           142           143           144 
      1  -0.450997D-01  0.136281D+01  0.720615D+00  0.115121D+01
      2  -0.106660D+01 -0.189474D+00 -0.192756D+01  0.898769D+00
      3  -0.564847D+00 -0.381809D+01 -0.212860D+01  0.920833D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258646D+02  0.288839D+01 -0.381206D+00 -0.153051D+00  0.249088D+02
      2   0.155340D+02 -0.564263D+01  0.150532D+01  0.156780D+01 -0.316499D+02
      3   0.103306D+02  0.275424D+01 -0.112412D+01 -0.141475D+01  0.674109D+01
      4  -0.470571D+01  0.159660D+01  0.803486D-02 -0.411195D+01  0.999106D+01
      5  -0.110224D+01 -0.635516D+00 -0.834862D+01 -0.653884D+00  0.149251D+00
      6  -0.403291D+00  0.452340D+00 -0.361738D+01  0.986809D+00 -0.130328D+01
                 6             7             8             9            10 
      1  -0.128299D+01 -0.548100D+01 -0.236666D+01 -0.398746D+01 -0.223631D+01
      2  -0.129357D+00  0.369192D+01  0.262400D+01 -0.691358D+01  0.561330D+01
      3   0.141234D+01  0.178908D+01 -0.257344D+00  0.109010D+02 -0.337699D+01
      4  -0.470556D+00  0.241885D+01 -0.180296D+01  0.110564D+00 -0.219703D+01
      5  -0.188636D+01  0.403793D+01  0.135675D+01 -0.327564D+01  0.491915D+00
      6  -0.980159D+01 -0.841932D+00  0.247406D+01  0.197760D+01 -0.261923D+00
                11            12            13            14            15 
      1  -0.874631D+01  0.310978D+00 -0.137433D+02 -0.364628D+02  0.153284D+00
      2   0.826604D+01 -0.319934D+00  0.813769D+01  0.539644D+02 -0.499043D-01
      3   0.480271D+00  0.895672D-02  0.560560D+01 -0.175016D+02 -0.103379D+00
      4   0.153824D+02 -0.570079D+00  0.153695D+02 -0.268271D+02  0.563564D+00
      5  -0.988168D-01  0.529912D+01  0.242975D+00 -0.146009D+00 -0.355254D+01
      6  -0.116067D-01  0.167079D+01 -0.105415D+01  0.124059D+01  0.162193D+02
                16            17            18            19            20 
      1   0.769808D+00  0.148260D+01 -0.993040D+01  0.697861D+02 -0.179320D+01
      2  -0.109216D+01 -0.131199D+01  0.748689D+01 -0.419889D+02  0.113949D+01
      3   0.322348D+00 -0.170602D+00  0.244350D+01 -0.277972D+02  0.653701D+00
      4  -0.641500D+00  0.255299D+00 -0.728792D+01 -0.377389D+01  0.918045D+01
      5   0.313188D+01 -0.855207D+01  0.123525D+01  0.120875D+01  0.737390D+00
      6   0.826908D+00  0.142330D+02 -0.155285D+01  0.702376D+00 -0.236377D+00
                21            22            23            24            25 
      1   0.145881D+01 -0.111154D+02  0.219211D+01  0.177695D+00  0.462726D+01
      2  -0.866641D+00  0.559485D+01  0.669352D+00  0.105293D+00 -0.348313D+01
      3  -0.592172D+00  0.552059D+01 -0.286146D+01 -0.282987D+00 -0.114413D+01
      4   0.534228D+00  0.112374D+02 -0.191819D+02  0.932283D+00 -0.930823D-01
      5   0.178431D+02  0.182276D+00  0.719018D+00 -0.131461D+01  0.196659D+02
      6   0.156935D+00  0.426171D+00 -0.248337D+00  0.435835D+01 -0.211606D+01
                26            27            28            29            30 
      1   0.653495D+00  0.106352D+02 -0.584646D+00  0.381934D+01  0.251168D+01
      2   0.218213D+00 -0.107044D+02  0.935888D+00 -0.980224D+01  0.232519D+01
      3  -0.871708D+00  0.692505D-01 -0.351242D+00  0.598290D+01 -0.483687D+01
      4   0.927103D+00 -0.189229D+01 -0.559823D+01 -0.536061D+01 -0.131258D+01
      5   0.315251D+00  0.328859D+01 -0.221695D+01 -0.867765D-01 -0.776167D+00
      6   0.348553D+01 -0.657709D+00  0.123288D+01 -0.194034D+01 -0.539041D+00
                31            32            33            34            35 
      1  -0.233907D+01 -0.158883D+01  0.145805D+01  0.144244D+01 -0.284074D+01
      2  -0.333255D+01 -0.272322D+01 -0.630124D+00  0.183723D+01 -0.430658D+01
      3   0.567163D+01  0.431205D+01 -0.827929D+00 -0.327968D+01  0.714732D+01
      4  -0.103304D+02 -0.130042D+02  0.425894D+00 -0.600590D+01  0.309029D+00
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      6   0.302093D+00 -0.242028D+00 -0.274787D+01  0.330403D+01 -0.677286D-01
                36            37            38            39            40 
      1   0.106630D+02  0.231674D+01 -0.491414D+01  0.400877D+01  0.396929D+01
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      3  -0.190327D+02 -0.617753D+00 -0.318880D+01 -0.549832D+01 -0.422616D+01
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      5   0.293412D+01  0.253394D+00 -0.509882D+00  0.115860D-01  0.197640D+00
      6   0.923999D+01 -0.158736D+01 -0.320789D+00  0.207072D+01  0.178178D+01
                41            42            43            44            45 
      1   0.116821D+00 -0.177720D+01  0.626809D+01  0.166657D+01  0.112147D+02
      2  -0.661488D+01 -0.158911D+01  0.816259D+00  0.151504D+01  0.928384D+01
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      4   0.609305D+01  0.795760D+00  0.255349D+01 -0.961730D+00 -0.412712D+01
      5  -0.281359D+00  0.291708D+01  0.133875D+01 -0.241899D+01  0.266209D+01
      6  -0.584734D+00 -0.219438D+01 -0.345355D+01  0.218282D+01 -0.885455D+01
                46            47            48            49            50 
      1  -0.512732D+02  0.221854D+01 -0.260678D+01  0.191268D+02  0.185058D+02
      2   0.326957D+02  0.253214D+01  0.586728D+01 -0.127297D+02 -0.212284D+02
      3   0.185775D+02 -0.475068D+01 -0.326050D+01 -0.639708D+01  0.272263D+01
      4   0.559883D+01 -0.131935D+02 -0.745726D-01  0.446291D+01  0.214873D+01
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      6  -0.479255D+00 -0.414649D+00  0.312344D+01  0.217753D+01  0.207093D+01
                51            52            53            54            55 
      1   0.971323D+00 -0.120082D+02  0.124492D+01 -0.786242D+01  0.102329D+03
      2  -0.243930D+00  0.874118D+01  0.682425D+00 -0.330335D+01 -0.612688D+02
      3  -0.727393D+00  0.326706D+01 -0.192735D+01  0.111658D+02 -0.410604D+02
      4   0.210002D+01  0.505902D+00 -0.340395D+01  0.139050D+01 -0.185590D+01
      5   0.537433D+01  0.181929D+01  0.605410D+00 -0.701896D+01  0.839153D+01
      6  -0.921317D+01 -0.552162D+00  0.238185D+01 -0.452540D+00  0.201115D+00
                56            57            58            59            60 
      1  -0.734238D+01  0.568126D+01 -0.110232D+02  0.665125D+01 -0.672461D+00
      2   0.549263D+01 -0.575275D+01  0.819754D+01  0.134224D+00  0.757505D+00
      3   0.184975D+01  0.714939D-01  0.282568D+01 -0.678547D+01 -0.850444D-01
      4   0.260139D+02 -0.428423D+00  0.176303D+02 -0.537518D+01  0.206904D+01
      5  -0.121035D+01  0.252596D+02 -0.122672D+01  0.170250D+01 -0.398174D+01
      6   0.563018D+00 -0.320335D+00  0.946245D+00  0.234025D+00  0.566953D+01
                61            62            63            64            65 
      1   0.991018D+01 -0.109253D+01  0.156707D+02  0.137985D+02 -0.119536D+02
      2  -0.848311D+01  0.177529D+00 -0.147479D+02 -0.576587D+01  0.214034D+02
      3  -0.142707D+01  0.915003D+00 -0.922839D+00 -0.803264D+01 -0.944974D+01
      4  -0.103273D+01  0.455765D+01 -0.187601D+00  0.157884D+02  0.190392D+02
      5   0.261170D+02 -0.172465D+01  0.110416D+02  0.140495D+01  0.124201D+00
      6   0.261076D+01  0.406665D+01  0.113550D+01  0.140687D+01 -0.170849D+00
                66            67            68            69            70 
      1   0.296183D+00 -0.747667D+01  0.437764D+01 -0.317758D+01  0.251914D+01
      2  -0.203140D+01  0.133083D+02  0.220540D+01  0.642145D+00 -0.101009D+01
      3   0.173522D+01 -0.583166D+01 -0.658304D+01  0.253543D+01 -0.150905D+01
      4   0.145481D+01  0.177162D+02  0.188211D+02  0.938961D+00  0.503535D+01
      5   0.749398D+01  0.486736D-01  0.116006D+01  0.360595D+01  0.594215D+01
      6   0.367110D+01 -0.955456D+00  0.289818D+01  0.706378D+01  0.366492D+01
                71            72            73            74            75 
      1  -0.212257D+01 -0.326748D+01 -0.535402D+01 -0.268322D+01 -0.230582D+01
      2   0.558066D+01 -0.120081D+01  0.558382D+01  0.742169D+00 -0.987870D+00
      3  -0.345809D+01  0.446829D+01 -0.229801D+00  0.194105D+01  0.329369D+01
      4   0.402246D+01  0.462819D+01  0.367727D+01  0.122917D+01  0.192995D+01
      5   0.354757D+01  0.146117D+01 -0.156359D+01  0.670360D+00  0.442140D+01
      6   0.713051D+01  0.231073D+01  0.183485D+01 -0.658397D+00  0.294863D+00
                76            77            78            79            80 
      1  -0.227327D+01 -0.200009D+02  0.205530D+01 -0.946277D+00 -0.141567D+01
      2  -0.246957D+01  0.336352D+02  0.141665D+01  0.983918D+00 -0.663181D+00
      3   0.474284D+01 -0.136343D+02 -0.347195D+01 -0.376411D-01  0.207885D+01
      4   0.158703D+02 -0.246351D+02 -0.106646D+01  0.160408D+01 -0.445315D+00
      5   0.949641D-02 -0.775753D+00 -0.470481D+01  0.359875D+01 -0.287930D+01
      6  -0.194986D+01  0.693267D+00  0.104068D+02 -0.158639D+01  0.793280D+01
                81            82            83            84            85 
      1  -0.551801D+01  0.123935D+02  0.430283D+01  0.586875D+00 -0.341415D+01
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      3   0.384178D+01 -0.824253D+01 -0.199701D+01  0.123535D+00  0.235196D+00
      4  -0.318709D+01  0.210503D+02  0.213079D+02 -0.777315D+00  0.853297D+01
      5  -0.271026D+00  0.372245D+00 -0.792733D+00  0.708281D+01 -0.139258D+01
      6   0.918799D+00  0.493850D+00 -0.267271D+00  0.154070D+00 -0.187970D+01
                86            87            88            89            90 
      1  -0.269938D+02  0.408502D+00  0.262441D+00 -0.589392D+00 -0.807589D+01
      2   0.407754D+02 -0.428330D+00 -0.128729D+01  0.136714D+00  0.514411D+01
      3  -0.137816D+02  0.198279D-01  0.102485D+01  0.452678D+00  0.293179D+01
      4   0.199975D+02 -0.151781D+01 -0.199265D+00  0.276642D+00  0.658692D+01
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      6  -0.247536D+01  0.145571D+02  0.552861D-01  0.130204D+02 -0.717173D+00
                91            92            93            94            95 
      1  -0.182185D+01  0.433884D-02 -0.334951D+01 -0.475283D+00 -0.332631D+01
      2  -0.295166D+01  0.457262D+00 -0.105517D+01  0.189769D+00  0.244086D+00
      3   0.477351D+01 -0.461601D+00  0.440468D+01  0.285513D+00  0.308223D+01
      4  -0.775647D+00  0.182312D+01 -0.139298D+01  0.263412D+01  0.124111D+01
      5   0.252614D+00 -0.564186D+00  0.504334D+01 -0.442787D-01 -0.615768D+00
      6  -0.181299D+01  0.802725D+00 -0.198903D+01  0.327695D+00 -0.193890D+01
                96            97            98            99           100 
      1   0.189028D+01 -0.386674D+01  0.336262D+01 -0.201705D+02 -0.233554D+01
      2  -0.137152D+01 -0.103005D+01 -0.101635D+01 -0.154589D+02 -0.283291D+01
      3  -0.518757D+00  0.489679D+01 -0.234626D+01  0.356294D+02  0.516845D+01
      4  -0.118677D+01 -0.975288D+00 -0.283548D+01 -0.174874D+00  0.112252D+01
      5   0.521290D+00  0.376345D+01  0.233224D+00 -0.600684D+01  0.331960D+00
      6   0.665700D+01 -0.970272D+00  0.537001D+01 -0.105438D+02  0.160060D+01
               101           102           103           104           105 
      1   0.505862D+00 -0.360353D+01  0.771589D+00 -0.298155D+01 -0.110532D+01
      2  -0.423315D+00 -0.107096D+01 -0.188524D+00 -0.215730D+00  0.194168D+01
      3  -0.825466D-01  0.467449D+01 -0.583065D+00  0.319728D+01 -0.836357D+00
      4   0.242505D+01  0.125760D+01  0.240657D+01 -0.233066D+00 -0.117554D+01
      5   0.200979D+00  0.548305D+01 -0.247535D+00 -0.475426D+00 -0.226515D+00
      6   0.684588D+00  0.163271D+01  0.770298D+00  0.116093D+01  0.647099D+01
               106           107           108           109           110 
      1  -0.564898D+01 -0.204050D+01 -0.219380D+02 -0.138312D+02  0.385508D+01
      2  -0.113964D+01  0.234123D+01 -0.160898D+02  0.703348D+01 -0.472699D+01
      3   0.678861D+01 -0.300733D+00  0.380278D+02  0.679771D+01  0.871917D+00
      4   0.149291D+01 -0.240082D+01  0.108133D+01 -0.174150D+02 -0.139755D+02
      5   0.390435D+01  0.600333D-01 -0.582491D+01 -0.644382D+00  0.462641D+00
      6   0.135020D+01  0.479666D+01  0.939548D+01 -0.611880D+00  0.314859D+00
               111           112           113           114           115 
      1  -0.584236D+00  0.156594D+01 -0.611813D+01  0.366714D+00  0.138388D+00
      2   0.383157D-01 -0.144043D+01  0.832511D+01 -0.333251D+00 -0.363570D-01
      3   0.545920D+00 -0.125510D+00 -0.220697D+01 -0.334632D-01 -0.102031D+00
      4   0.432632D+00  0.671704D+00  0.160375D+01  0.101893D+00 -0.503083D+00
      5  -0.585498D+01  0.526815D-01 -0.281931D+00  0.602366D+00  0.320004D+00
      6  -0.138311D+01  0.284088D+00 -0.484461D+00  0.178798D+01 -0.939142D-01
               116           117           118           119           120 
      1   0.706629D+00 -0.253644D+01  0.111174D+02  0.742474D+01  0.800669D-01
      2  -0.642989D+00  0.810271D+00 -0.496375D+01 -0.343768D+01  0.841848D-01
      3  -0.636401D-01  0.172617D+01 -0.615363D+01 -0.398705D+01 -0.164252D+00
      4   0.265457D+00  0.548012D+00  0.851976D+01  0.619793D+01  0.857118D-02
      5   0.811462D+00  0.240095D+00 -0.190870D+00  0.173626D-01  0.264049D+01
      6   0.286543D+01 -0.493538D+00 -0.150524D-01  0.285720D-01  0.134025D+01
               121           122           123           124           125 
      1   0.225658D+02  0.515591D+01  0.534616D+00 -0.853980D+00  0.607834D-01
      2  -0.132045D+02 -0.174981D+01 -0.558274D+00  0.378163D+00 -0.208505D+00
      3  -0.936129D+01 -0.340610D+01  0.236584D-01  0.475817D+00  0.147722D+00
      4   0.798554D+01  0.237065D+02 -0.131973D+00 -0.449092D-01 -0.241053D+00
      5   0.487384D+00 -0.258797D+00  0.463781D+01  0.500408D+01  0.271993D+01
      6   0.580664D-01  0.428585D+00 -0.130864D+00  0.841096D+00  0.167116D+01
               126           127           128           129           130 
      1   0.198739D+01 -0.453516D+01  0.100280D+02 -0.750674D+00  0.749291D+01
      2  -0.219292D+01  0.474882D+01 -0.135597D+02  0.240773D+00 -0.696051D+01
      3   0.205538D+00 -0.213659D+00  0.353164D+01  0.509901D+00 -0.532404D+00
      4   0.278965D+01 -0.375356D+01 -0.131216D+01 -0.198307D+00  0.398858D+01
      5   0.276094D+00 -0.175466D+00  0.806463D-01 -0.953735D+00  0.451549D-01
      6   0.754552D-01 -0.572160D+00  0.105532D+01 -0.121414D+01  0.838459D-01
               131           132           133           134           135 
      1  -0.225830D+02  0.768824D+00 -0.508097D+00  0.203285D+01 -0.352526D+01
      2   0.337785D+02 -0.106222D+01  0.704424D+00 -0.229140D+01  0.325205D+01
      3  -0.111955D+02  0.293393D+00 -0.196327D+00  0.258550D+00  0.273214D+00
      4   0.847304D+01 -0.370889D+00 -0.598299D+00 -0.612747D+00  0.945532D+00
      5  -0.749940D+00  0.183949D+01  0.114755D+01  0.945446D+00  0.409392D+00
      6  -0.200916D+01  0.464866D+01 -0.256766D-02  0.586311D+01 -0.691115D+00
               136           137           138           139           140 
      1   0.164281D+02  0.327014D+01  0.204471D+01 -0.392101D+01  0.451253D+01
      2  -0.668965D+01 -0.867992D+01 -0.454271D+00  0.778319D+00 -0.228088D+01
      3  -0.973842D+01  0.540978D+01 -0.159044D+01  0.314269D+01 -0.223165D+01
      4  -0.182777D+02  0.148754D+02 -0.193276D+01  0.473154D+01 -0.215603D+01
      5   0.184954D+01 -0.205277D+00  0.349061D+01 -0.710892D+00  0.681828D+00
      6  -0.172863D+01  0.118854D+00 -0.505183D+01  0.242737D+00 -0.422805D+00
               141           142           143           144 
      1  -0.114005D+00  0.167677D+01  0.191264D+01  0.560780D+00
      2   0.222676D+00 -0.129008D+01 -0.217978D+01 -0.149153D+01
      3  -0.108671D+00 -0.386693D+00  0.267144D+00  0.930746D+00
      4   0.540773D+00 -0.351653D+01  0.209042D+01 -0.361477D+01
      5  -0.206408D+01  0.459183D+01 -0.284255D+01  0.165787D+01
      6   0.368437D+00 -0.237308D+01  0.304535D+01 -0.207286D+01
 Leave Link  716 at Thu Jul 22 21:09:51 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.902497D+02  0.663275D+00  0.254819D+01
      2   0.663275D+00  0.804516D+02 -0.982550D+00
      3   0.254819D+01 -0.982550D+00  0.541201D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.270181D+01 -0.103450D+01 -0.683892D+01
      2  -0.294053D+01 -0.141084D+01 -0.421427D+01
      3  -0.116656D+02 -0.369423D+00 -0.487060D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.105275D+02  0.142228D+02 -0.839634D+01
      2   0.435655D+01 -0.701753D+01  0.553782D+01
      3   0.617092D+01 -0.720531D+01  0.285852D+01
      4   0.177135D+02 -0.442492D+01 -0.115079D+00
      5  -0.818758D+01  0.479799D+00 -0.478519D+01
      6  -0.780125D+00  0.112290D+01  0.160605D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.267501D+01 -0.912031D+00 -0.199087D+00  0.256583D+01  0.208842D+01
      2  -0.912031D+00  0.282478D+01  0.822094D-01  0.208842D+01  0.560171D+01
      3  -0.199087D+00  0.822094D-01  0.658983D+00 -0.125488D+00 -0.446544D+00
                 6             7             8             9            10 
      1  -0.125488D+00 -0.104467D+01  0.752032D+00  0.486018D+00 -0.282289D+01
      2  -0.446544D+00  0.752032D+00 -0.577050D+00  0.168741D+00 -0.212546D+01
      3   0.908872D-01  0.486018D+00  0.168741D+00 -0.547461D+00  0.206294D+00
                11            12            13            14            15 
      1  -0.212546D+01  0.206294D+00 -0.586825D+01 -0.483854D+00  0.131350D+00
      2  -0.132940D+01  0.148968D+00 -0.483854D+00 -0.119188D+02  0.447790D+00
      3   0.148968D+00 -0.612365D+00  0.131350D+00  0.447790D+00 -0.185979D+01
                16            17            18            19            20 
      1   0.302604D+00  0.570813D-01 -0.432477D+00  0.999793D+01 -0.393806D+00
      2   0.570813D-01  0.425462D+00 -0.269414D+01 -0.393806D+00  0.288523D+00
      3  -0.432477D+00 -0.269414D+01  0.512488D+00  0.290454D+00  0.109704D+00
                21            22            23            24            25 
      1   0.290454D+00 -0.263580D+01  0.896294D+00  0.673726D-01  0.133345D+01
      2   0.109704D+00  0.896294D+00 -0.399507D+01  0.130730D+00 -0.369570D+00
      3   0.116083D+01  0.673726D-01  0.130730D+00 -0.125647D+00  0.239052D+01
                26            27            28            29            30 
      1  -0.369570D+00  0.239052D+01  0.427259D+01 -0.103070D+01 -0.618264D+00
      2   0.225334D+00  0.164516D+00 -0.103070D+01 -0.165665D+01 -0.494772D+00
      3   0.164516D+00  0.424397D+00 -0.618264D+00 -0.494772D+00  0.176500D+01
                31            32            33            34            35 
      1  -0.164186D+01 -0.268212D+01  0.106078D+00 -0.188654D+01 -0.100914D+01
      2  -0.268212D+01 -0.247279D+01 -0.315713D+00 -0.100914D+01  0.109750D+00
      3   0.106078D+00 -0.315713D+00  0.169114D+00  0.173519D+01 -0.530040D+00
                36            37            38            39            40 
      1   0.173519D+01 -0.478101D+01  0.155772D+01  0.306259D+00 -0.830728D+00
      2  -0.530040D+00  0.155772D+01  0.200531D+01 -0.287196D-02  0.250991D+01
      3   0.705579D+01  0.306259D+00 -0.287196D-02 -0.168818D+01  0.199482D+00
                41            42            43            44            45 
      1   0.250991D+01  0.199482D+00  0.980276D+00 -0.915209D+00 -0.196107D+01
      2  -0.101928D+01  0.405059D+00 -0.915209D+00  0.389976D+00  0.736899D+00
      3   0.405059D+00  0.890097D+00 -0.196107D+01  0.736899D+00 -0.740529D+01
                46            47            48            49            50 
      1   0.716632D+01 -0.255451D+01  0.119071D+01 -0.515347D+01 -0.201595D+01
      2  -0.255451D+01  0.104636D+01 -0.387683D-01 -0.201595D+01  0.498959D+00
      3   0.119071D+01 -0.387683D-01  0.615532D+00 -0.308337D+00 -0.342077D+00
                51            52            53            54            55 
      1  -0.308337D+00  0.210838D+01  0.225969D+00  0.242932D+00 -0.156166D+02
      2  -0.342077D+00  0.225969D+00  0.409390D+00 -0.601735D+00  0.145140D+01
      3  -0.106550D+01  0.242932D+00 -0.601735D+00  0.861262D+00 -0.141472D+01
                56            57            58            59            60 
      1   0.145140D+01 -0.141472D+01  0.222696D+01 -0.202521D+01  0.156687D+00
      2  -0.401285D+01  0.155894D+00 -0.202521D+01  0.183200D+01 -0.320815D+00
      3   0.155894D+00 -0.237530D+01  0.156687D+00 -0.320815D+00  0.885654D+00
                61            62            63            64            65 
      1  -0.226187D+01 -0.713708D-01 -0.355765D+01  0.552130D+01  0.159992D+01
      2  -0.713708D-01 -0.893763D+00  0.464347D+00  0.159992D+01  0.503375D+01
      3  -0.355765D+01  0.464347D+00 -0.166770D+01  0.507166D+00  0.306386D-01
                66            67            68            69            70 
      1   0.507166D+00  0.857232D+00  0.403428D+01 -0.178362D+00  0.118790D+01
      2   0.306386D-01  0.403428D+01  0.143132D+01  0.446630D+00  0.492606D+00
      3   0.424896D-01 -0.178362D+00  0.446630D+00 -0.450121D+00  0.595019D+00
                71            72            73            74            75 
      1   0.492606D+00  0.595019D+00  0.270579D+01  0.154137D+01  0.237555D+00
      2   0.125823D+01  0.109686D+01  0.154137D+01  0.155786D+01 -0.303756D+00
      3   0.109686D+01  0.115782D+00  0.237555D+00 -0.303756D+00  0.967319D+00
                76            77            78            79            80 
      1   0.250897D+01 -0.166981D+01 -0.435576D+00  0.813571D+00  0.330608D-01
      2  -0.166981D+01  0.736862D+01  0.129558D+00  0.330608D-01  0.382711D+00
      3  -0.435576D+00  0.129558D+00  0.860832D-01 -0.258460D+00  0.116610D+01
                81            82            83            84            85 
      1  -0.258460D+00 -0.882192D+01 -0.143878D+01  0.157480D-01  0.110263D+01
      2   0.116610D+01 -0.143878D+01 -0.141278D+01  0.163051D+00 -0.334493D+00
      3   0.487017D+00  0.157480D-01  0.163051D+00 -0.154263D+00  0.274903D+00
                86            87            88            89            90 
      1  -0.334493D+00  0.274903D+00 -0.299227D+00  0.158150D+00  0.112812D+00
      2  -0.795102D+01  0.114378D+00  0.158150D+00 -0.193293D+00 -0.203186D+01
      3   0.114378D+00 -0.950253D+00  0.112812D+00 -0.203186D+01  0.942192D-01
                91            92            93            94            95 
      1  -0.168463D+01  0.129782D+00 -0.112062D+01  0.295169D+00  0.437776D+00
      2   0.129782D+00 -0.113776D-01  0.874770D-01  0.437776D+00  0.680103D+00
      3  -0.112062D+01  0.874770D-01 -0.145190D+01 -0.600843D-01 -0.118151D+01
                96            97            98            99           100 
      1  -0.600843D-01 -0.146281D+01  0.307037D+00 -0.655175D+00  0.171179D+01
      2  -0.118151D+01  0.307037D+00 -0.188749D+01  0.655731D+00 -0.257539D+00
      3   0.618015D+00 -0.655175D+00  0.655731D+00 -0.837565D+01  0.121718D+01
               101           102           103           104           105 
      1  -0.257539D+00  0.121718D+01 -0.187318D+00 -0.386213D+00  0.133821D-01
      2  -0.152934D+00 -0.193847D-01 -0.386213D+00  0.286587D+00  0.113469D+01
      3  -0.193847D-01  0.148939D+01  0.133821D-01  0.113469D+01  0.280936D+00
               106           107           108           109           110 
      1   0.177691D+01  0.245819D+00  0.106949D+01  0.978568D+01 -0.528245D+00
      2   0.245819D+00  0.156073D+01  0.852267D-01 -0.528245D+00  0.143007D+01
      3   0.106949D+01  0.852267D-01  0.878533D+01 -0.102716D+00 -0.876557D-01
               111           112           113           114           115 
      1  -0.102716D+00 -0.414768D+00  0.334855D+00 -0.741231D-01  0.356242D+00
      2  -0.876557D-01  0.334855D+00 -0.181526D+01  0.999742D-01 -0.106953D+00
      3   0.404014D+00 -0.741231D-01  0.999742D-01 -0.580285D+00 -0.459283D-01
               116           117           118           119           120 
      1  -0.106953D+00 -0.459283D-01  0.232531D+01  0.144995D+01  0.254609D-01
      2   0.245949D+00 -0.585160D+00  0.144995D+01  0.825262D+00  0.415419D-01
      3  -0.585160D+00  0.133893D+00  0.254609D-01  0.415419D-01  0.752038D+00
               121           122           123           124           125 
      1   0.424114D+01  0.115775D+01  0.105346D+00 -0.147314D+00  0.341062D-01
      2   0.115775D+01  0.474766D+01 -0.391133D-01  0.341062D-01 -0.537306D-01
      3   0.105346D+00 -0.391133D-01  0.589251D+00  0.764696D+00  0.385539D+00
               126           127           128           129           130 
      1   0.764696D+00 -0.172639D+01  0.815682D+00 -0.334979D-01  0.221782D+01
      2   0.385539D+00  0.815682D+00 -0.269495D+01 -0.171683D-01 -0.929261D+00
      3   0.102314D+00 -0.334979D-01 -0.171683D-01 -0.244725D+00  0.213838D-01
               131           132           133           134           135 
      1  -0.929261D+00  0.213838D-01 -0.423424D+00  0.754130D-01  0.154422D+00
      2   0.683464D+01 -0.161579D+00  0.754130D-01 -0.569389D+00  0.923985D+00
      3  -0.161579D+00  0.113867D+01  0.154422D+00  0.923985D+00 -0.689913D-01
               136           137           138           139           140 
      1  -0.535827D+01  0.695244D+00 -0.507928D+00  0.716448D+00 -0.932379D+00
      2   0.695244D+00 -0.374097D+01  0.144893D+00 -0.932379D+00 -0.109397D+00
      3  -0.507928D+00  0.144893D+00 -0.132886D+01  0.105987D+00 -0.101449D+00
               141           142           143           144 
      1   0.105987D+00 -0.133348D+01  0.909726D-01 -0.640333D+00
      2  -0.101449D+00  0.909726D-01 -0.832824D+00  0.594989D+00
      3   0.282893D+00 -0.640333D+00  0.594989D+00 -0.507399D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114585D+00 -0.527371D+00  0.122888D+01 -0.300001D+01  0.966472D+00
      2   0.123596D+01 -0.175066D+01 -0.536409D+01 -0.302221D+01 -0.369095D+00
      3   0.122634D+01 -0.511705D+01  0.877191D+00 -0.938654D+01 -0.677239D+01
                 6             7             8             9            10 
      1   0.820770D+01 -0.121945D+01  0.109278D+02 -0.197103D+01  0.431870D+00
      2   0.992198D-01 -0.150538D+02  0.327847D+01 -0.291356D+01 -0.280677D+00
      3   0.156125D+01  0.350401D+01  0.184214D+01 -0.170075D+01  0.739134D+01
                11            12            13            14            15 
      1   0.467300D+00 -0.724867D+00  0.249867D+00  0.177748D+01 -0.106463D+02
      2   0.261062D+00  0.351444D+01  0.163290D+00  0.621199D+00 -0.155500D+01
      3  -0.127466D+01 -0.721246D+00  0.193070D+02  0.176185D+02 -0.107943D+01
                16            17            18            19            20 
      1   0.168545D+01 -0.699849D+00  0.129855D+01  0.530266D+00 -0.139032D+00
      2  -0.247715D+01 -0.538755D+01  0.116595D+01  0.156314D+01  0.154485D+00
      3  -0.183105D+01 -0.467194D+00  0.529604D+01 -0.285475D+01 -0.773399D+01
                21            22            23            24            25 
      1  -0.197898D+00  0.558916D+00 -0.792213D+00 -0.236491D+01  0.193036D+01
      2   0.942830D+01  0.104073D+01  0.292954D+00 -0.154496D+01  0.543599D+01
      3  -0.253703D+00  0.130846D+01  0.174502D+02 -0.161477D+00 -0.107164D+01
                26            27            28            29            30 
      1   0.132446D+01  0.436257D+00  0.209716D+01  0.525804D+00  0.163971D+01
      2  -0.196703D+01  0.174569D+01 -0.211775D+01  0.130132D+00  0.217342D+01
      3  -0.151372D+01 -0.139023D+01 -0.114862D+01 -0.192225D+01 -0.761116D-01
                31            32            33            34            35 
      1   0.296257D+01  0.169386D+01 -0.152199D+01 -0.296582D+00  0.172239D+01
      2   0.179073D+01 -0.203746D+00 -0.241665D+01 -0.361656D+01 -0.782684D+00
      3   0.627009D+01  0.105034D+01 -0.470980D+00  0.722154D-01 -0.121830D+01
                36            37            38            39            40 
      1  -0.723259D+00 -0.223523D+01  0.194310D+01 -0.161349D+01  0.107392D+01
      2   0.285966D+01  0.934309D-01 -0.270270D+00  0.271922D+01 -0.153016D+01
      3   0.989149D+00  0.184120D+01 -0.977681D+00  0.363547D+00  0.697676D+01
                41            42            43            44            45 
      1  -0.284892D+00 -0.136807D+01  0.214136D+00  0.215888D+01  0.125962D+01
      2  -0.500579D+00  0.204320D+01 -0.389381D+01 -0.119993D+01  0.302335D+01
      3   0.201521D+01  0.432174D+00  0.137852D+00 -0.538173D+00 -0.291432D+00
                46            47            48            49            50 
      1   0.118781D+01 -0.511640D+01 -0.982832D+00 -0.332978D+01 -0.141676D+01
      2   0.295732D+01  0.231467D+01 -0.906520D+01  0.275852D+01  0.105566D+01
      3  -0.591053D+01  0.871789D+01 -0.125742D+01  0.859836D+00 -0.355416D+01
                51            52            53            54            55 
      1   0.632761D+01  0.282411D+01  0.139179D+02  0.101023D+01 -0.131762D+01
      2   0.207393D+01 -0.139579D+02 -0.312362D+01 -0.540838D+01  0.136526D+01
      3   0.116518D+01 -0.117208D+01  0.599959D+01 -0.804181D+00  0.962911D+01
                56            57            58            59            60 
      1   0.231229D+01  0.203096D+00  0.857877D+00 -0.377981D+00 -0.361962D+01
      2  -0.780382D+00  0.145107D+02 -0.108363D+01  0.845991D+00 -0.155923D+01
      3  -0.217646D+02  0.117146D+01 -0.145250D+01  0.892969D+01 -0.920532D+00
                61            62            63            64            65 
      1  -0.293456D+01  0.130262D+01 -0.107896D+01 -0.760834D+00 -0.127331D+00
      2   0.560108D+01  0.148652D+01  0.501283D+01  0.788164D+00  0.519983D+00
      3   0.800420D+00 -0.486636D+01  0.305634D+01  0.131714D+02 -0.122875D+02
                66            67            68            69            70 
      1  -0.269544D+01 -0.669985D+00 -0.268239D+01 -0.410342D+01 -0.109159D+01
      2   0.405276D+01 -0.803607D+00  0.262421D+00  0.197753D+01 -0.155702D+01
      3   0.463261D+00 -0.478853D+01  0.615544D+01 -0.300856D+00  0.280429D+01
                71            72            73            74            75 
      1   0.330267D+01 -0.175522D+01 -0.154456D+01 -0.782037D+00 -0.255904D+00
      2   0.125830D+01  0.968070D+00  0.362218D+00 -0.518931D+00  0.192247D+01
      3  -0.141913D+01 -0.457641D+00  0.140674D+02  0.840152D+01  0.137493D+01
                76            77            78            79            80 
      1  -0.605109D+00  0.189171D+01 -0.648696D+01 -0.857102D-01  0.119194D+01
      2   0.686292D+00  0.335594D-01 -0.222911D+01 -0.294601D+01  0.149897D+00
      3   0.102523D+02  0.895138D+01 -0.473762D-01  0.257677D+01  0.206011D+01
                81            82            83            84            85 
      1   0.346796D+00  0.275855D+00  0.106360D+01 -0.750559D+00 -0.393843D+00
      2  -0.220657D+00  0.392061D+00 -0.462282D+00  0.383142D+01 -0.514335D+00
      3   0.110620D+01  0.249004D+02 -0.705114D+01  0.650165D-01  0.591387D+01
                86            87            88            89            90 
      1  -0.105274D+01 -0.801902D+01 -0.190093D+01 -0.248716D+01 -0.278895D+00
      2  -0.265382D+00  0.155062D+00 -0.974745D+00  0.425437D+01  0.491054D+00
      3  -0.875946D+01  0.238911D-01  0.137588D+01 -0.159375D+01 -0.353058D+01
                91            92            93            94            95 
      1   0.861435D-02  0.201673D+00  0.755149D+00  0.507273D+00 -0.795351D+00
      2  -0.193990D+01  0.453923D-01 -0.163181D+00 -0.117850D-01 -0.736566D+00
      3  -0.108205D+01 -0.447858D+00 -0.507614D+00  0.101285D+01 -0.432207D+00
                96            97            98            99           100 
      1  -0.289798D-01  0.290596D+00  0.310820D+01  0.261514D+01 -0.251747D+00
      2   0.144500D+00 -0.346329D+01  0.370584D+00 -0.453376D+01 -0.198869D+01
      3   0.651427D+00 -0.102614D+01  0.144672D+01 -0.934525D+00  0.598002D+00
               101           102           103           104           105 
      1   0.262444D+00 -0.720692D+00  0.139595D+00 -0.140214D+00 -0.126537D-01
      2  -0.203990D+00 -0.180984D+00  0.195753D+00 -0.506374D+00 -0.127245D+00
      3  -0.104580D+01  0.551001D+00  0.694353D+00 -0.359532D+00  0.690231D+00
               106           107           108           109           110 
      1  -0.486165D+00  0.300419D+01 -0.318284D+01 -0.700347D+00 -0.120658D+00
      2  -0.409013D+01  0.176551D+00 -0.470334D+01 -0.901161D+00  0.169237D+00
      3   0.625213D+00  0.699493D+00  0.356740D+00 -0.307866D+02  0.902773D+01
               111           112           113           114           115 
      1   0.107843D+01 -0.556088D-01  0.348050D-01 -0.609367D+00  0.166369D+00
      2  -0.323376D+01  0.155203D+00 -0.244842D+00  0.346812D+00 -0.311136D+01
      3   0.280721D+00  0.444798D+01 -0.218688D+01  0.218659D+00 -0.129655D+01
               116           117           118           119           120 
      1   0.370476D+00  0.172422D+00  0.372767D+00 -0.171989D+00 -0.960857D+00
      2   0.569792D+00  0.786272D-01  0.363318D-01 -0.149885D+00  0.111215D+01
      3   0.387631D+00 -0.231793D+00 -0.506203D+01 -0.151933D+01 -0.134633D+00
               121           122           123           124           125 
      1  -0.910826D-02  0.797831D+00  0.170526D-01  0.177904D+00  0.133816D+01
      2   0.138901D-01  0.110694D+00  0.287174D+01  0.613169D+00  0.167616D+01
      3  -0.209474D+01 -0.224345D+02 -0.112203D+00 -0.125344D+00  0.462284D+00
               126           127           128           129           130 
      1   0.436020D-01 -0.984112D-01 -0.690505D-01  0.102533D+01 -0.164388D+00
      2   0.630502D-01 -0.531240D+00  0.126175D+00 -0.636522D+00  0.381692D+00
      3  -0.100759D+01 -0.105153D+02  0.645287D+01  0.648925D-01  0.998310D+01
               131           132           133           134           135 
      1   0.260916D+00 -0.278676D+01 -0.304874D+00 -0.977406D+00  0.164902D+00
      2  -0.359713D+00  0.786798D+00 -0.144385D+01  0.836227D+00  0.198941D+00
      3  -0.131272D+02  0.188588D+00 -0.155576D+01  0.847243D+00 -0.547840D+00
               136           137           138           139           140 
      1   0.211899D+01  0.277660D+00  0.297196D+01  0.603862D+00  0.610911D+00
      2   0.239497D+00 -0.761827D-01  0.243960D+01 -0.220387D+00 -0.361774D-01
      3  -0.157972D+02 -0.116841D+02 -0.176980D+01 -0.417930D+01 -0.421296D+01
               141           142           143           144 
      1  -0.450997D-01  0.136281D+01  0.720615D+00  0.115121D+01
      2  -0.106660D+01 -0.189474D+00 -0.192756D+01  0.898769D+00
      3  -0.564847D+00 -0.381809D+01 -0.212860D+01  0.920833D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258646D+02  0.288839D+01 -0.381206D+00 -0.153051D+00  0.249088D+02
      2   0.155340D+02 -0.564263D+01  0.150532D+01  0.156780D+01 -0.316499D+02
      3   0.103306D+02  0.275424D+01 -0.112412D+01 -0.141475D+01  0.674109D+01
      4  -0.470571D+01  0.159660D+01  0.803486D-02 -0.411195D+01  0.999106D+01
      5  -0.110224D+01 -0.635516D+00 -0.834862D+01 -0.653884D+00  0.149251D+00
      6  -0.403291D+00  0.452340D+00 -0.361738D+01  0.986809D+00 -0.130328D+01
                 6             7             8             9            10 
      1  -0.128299D+01 -0.548100D+01 -0.236666D+01 -0.398746D+01 -0.223631D+01
      2  -0.129357D+00  0.369192D+01  0.262400D+01 -0.691358D+01  0.561330D+01
      3   0.141234D+01  0.178908D+01 -0.257344D+00  0.109010D+02 -0.337699D+01
      4  -0.470556D+00  0.241885D+01 -0.180296D+01  0.110564D+00 -0.219703D+01
      5  -0.188636D+01  0.403793D+01  0.135675D+01 -0.327564D+01  0.491915D+00
      6  -0.980159D+01 -0.841932D+00  0.247406D+01  0.197760D+01 -0.261923D+00
                11            12            13            14            15 
      1  -0.874631D+01  0.310978D+00 -0.137433D+02 -0.364628D+02  0.153284D+00
      2   0.826604D+01 -0.319934D+00  0.813769D+01  0.539644D+02 -0.499043D-01
      3   0.480271D+00  0.895672D-02  0.560560D+01 -0.175016D+02 -0.103379D+00
      4   0.153824D+02 -0.570079D+00  0.153695D+02 -0.268271D+02  0.563564D+00
      5  -0.988168D-01  0.529912D+01  0.242975D+00 -0.146009D+00 -0.355254D+01
      6  -0.116067D-01  0.167079D+01 -0.105415D+01  0.124059D+01  0.162193D+02
                16            17            18            19            20 
      1   0.769808D+00  0.148260D+01 -0.993040D+01  0.697861D+02 -0.179320D+01
      2  -0.109216D+01 -0.131199D+01  0.748689D+01 -0.419889D+02  0.113949D+01
      3   0.322348D+00 -0.170602D+00  0.244350D+01 -0.277972D+02  0.653701D+00
      4  -0.641500D+00  0.255299D+00 -0.728792D+01 -0.377389D+01  0.918045D+01
      5   0.313188D+01 -0.855207D+01  0.123525D+01  0.120875D+01  0.737390D+00
      6   0.826908D+00  0.142330D+02 -0.155285D+01  0.702376D+00 -0.236377D+00
                21            22            23            24            25 
      1   0.145881D+01 -0.111154D+02  0.219211D+01  0.177695D+00  0.462726D+01
      2  -0.866641D+00  0.559485D+01  0.669352D+00  0.105293D+00 -0.348313D+01
      3  -0.592172D+00  0.552059D+01 -0.286146D+01 -0.282987D+00 -0.114413D+01
      4   0.534228D+00  0.112374D+02 -0.191819D+02  0.932283D+00 -0.930823D-01
      5   0.178431D+02  0.182276D+00  0.719018D+00 -0.131461D+01  0.196659D+02
      6   0.156935D+00  0.426171D+00 -0.248337D+00  0.435835D+01 -0.211606D+01
                26            27            28            29            30 
      1   0.653495D+00  0.106352D+02 -0.584646D+00  0.381934D+01  0.251168D+01
      2   0.218213D+00 -0.107044D+02  0.935888D+00 -0.980224D+01  0.232519D+01
      3  -0.871708D+00  0.692505D-01 -0.351242D+00  0.598290D+01 -0.483687D+01
      4   0.927103D+00 -0.189229D+01 -0.559823D+01 -0.536061D+01 -0.131258D+01
      5   0.315251D+00  0.328859D+01 -0.221695D+01 -0.867765D-01 -0.776167D+00
      6   0.348553D+01 -0.657709D+00  0.123288D+01 -0.194034D+01 -0.539041D+00
                31            32            33            34            35 
      1  -0.233907D+01 -0.158883D+01  0.145805D+01  0.144244D+01 -0.284074D+01
      2  -0.333255D+01 -0.272322D+01 -0.630124D+00  0.183723D+01 -0.430658D+01
      3   0.567163D+01  0.431205D+01 -0.827929D+00 -0.327968D+01  0.714732D+01
      4  -0.103304D+02 -0.130042D+02  0.425894D+00 -0.600590D+01  0.309029D+00
      5   0.147787D+00 -0.617793D+00 -0.323385D+01  0.173912D+01  0.143832D+01
      6   0.302093D+00 -0.242028D+00 -0.274787D+01  0.330403D+01 -0.677286D-01
                36            37            38            39            40 
      1   0.106630D+02  0.231674D+01 -0.491414D+01  0.400877D+01  0.396929D+01
      2   0.836975D+01 -0.169899D+01  0.810295D+01  0.148955D+01  0.256865D+00
      3  -0.190327D+02 -0.617753D+00 -0.318880D+01 -0.549832D+01 -0.422616D+01
      4   0.239097D+01  0.325896D+01 -0.477775D+01  0.786405D-01 -0.854558D+01
      5   0.293412D+01  0.253394D+00 -0.509882D+00  0.115860D-01  0.197640D+00
      6   0.923999D+01 -0.158736D+01 -0.320789D+00  0.207072D+01  0.178178D+01
                41            42            43            44            45 
      1   0.116821D+00 -0.177720D+01  0.626809D+01  0.166657D+01  0.112147D+02
      2  -0.661488D+01 -0.158911D+01  0.816259D+00  0.151504D+01  0.928384D+01
      3   0.649806D+01  0.336631D+01 -0.708434D+01 -0.318161D+01 -0.204985D+02
      4   0.609305D+01  0.795760D+00  0.255349D+01 -0.961730D+00 -0.412712D+01
      5  -0.281359D+00  0.291708D+01  0.133875D+01 -0.241899D+01  0.266209D+01
      6  -0.584734D+00 -0.219438D+01 -0.345355D+01  0.218282D+01 -0.885455D+01
                46            47            48            49            50 
      1  -0.512732D+02  0.221854D+01 -0.260678D+01  0.191268D+02  0.185058D+02
      2   0.326957D+02  0.253214D+01  0.586728D+01 -0.127297D+02 -0.212284D+02
      3   0.185775D+02 -0.475068D+01 -0.326050D+01 -0.639708D+01  0.272263D+01
      4   0.559883D+01 -0.131935D+02 -0.745726D-01  0.446291D+01  0.214873D+01
      5  -0.611520D+01  0.827411D+00 -0.140156D+02  0.286183D+01  0.195015D+01
      6  -0.479255D+00 -0.414649D+00  0.312344D+01  0.217753D+01  0.207093D+01
                51            52            53            54            55 
      1   0.971323D+00 -0.120082D+02  0.124492D+01 -0.786242D+01  0.102329D+03
      2  -0.243930D+00  0.874118D+01  0.682425D+00 -0.330335D+01 -0.612688D+02
      3  -0.727393D+00  0.326706D+01 -0.192735D+01  0.111658D+02 -0.410604D+02
      4   0.210002D+01  0.505902D+00 -0.340395D+01  0.139050D+01 -0.185590D+01
      5   0.537433D+01  0.181929D+01  0.605410D+00 -0.701896D+01  0.839153D+01
      6  -0.921317D+01 -0.552162D+00  0.238185D+01 -0.452540D+00  0.201115D+00
                56            57            58            59            60 
      1  -0.734238D+01  0.568126D+01 -0.110232D+02  0.665125D+01 -0.672461D+00
      2   0.549263D+01 -0.575275D+01  0.819754D+01  0.134224D+00  0.757505D+00
      3   0.184975D+01  0.714939D-01  0.282568D+01 -0.678547D+01 -0.850444D-01
      4   0.260139D+02 -0.428423D+00  0.176303D+02 -0.537518D+01  0.206904D+01
      5  -0.121035D+01  0.252596D+02 -0.122672D+01  0.170250D+01 -0.398174D+01
      6   0.563018D+00 -0.320335D+00  0.946245D+00  0.234025D+00  0.566953D+01
                61            62            63            64            65 
      1   0.991018D+01 -0.109253D+01  0.156707D+02  0.137985D+02 -0.119536D+02
      2  -0.848311D+01  0.177529D+00 -0.147479D+02 -0.576587D+01  0.214034D+02
      3  -0.142707D+01  0.915003D+00 -0.922839D+00 -0.803264D+01 -0.944974D+01
      4  -0.103273D+01  0.455765D+01 -0.187601D+00  0.157884D+02  0.190392D+02
      5   0.261170D+02 -0.172465D+01  0.110416D+02  0.140495D+01  0.124201D+00
      6   0.261076D+01  0.406665D+01  0.113550D+01  0.140687D+01 -0.170849D+00
                66            67            68            69            70 
      1   0.296183D+00 -0.747667D+01  0.437764D+01 -0.317758D+01  0.251914D+01
      2  -0.203140D+01  0.133083D+02  0.220540D+01  0.642145D+00 -0.101009D+01
      3   0.173522D+01 -0.583166D+01 -0.658304D+01  0.253543D+01 -0.150905D+01
      4   0.145481D+01  0.177162D+02  0.188211D+02  0.938961D+00  0.503535D+01
      5   0.749398D+01  0.486736D-01  0.116006D+01  0.360595D+01  0.594215D+01
      6   0.367110D+01 -0.955456D+00  0.289818D+01  0.706378D+01  0.366492D+01
                71            72            73            74            75 
      1  -0.212257D+01 -0.326748D+01 -0.535402D+01 -0.268322D+01 -0.230582D+01
      2   0.558066D+01 -0.120081D+01  0.558382D+01  0.742169D+00 -0.987870D+00
      3  -0.345809D+01  0.446829D+01 -0.229801D+00  0.194105D+01  0.329369D+01
      4   0.402246D+01  0.462819D+01  0.367727D+01  0.122917D+01  0.192995D+01
      5   0.354757D+01  0.146117D+01 -0.156359D+01  0.670360D+00  0.442140D+01
      6   0.713051D+01  0.231073D+01  0.183485D+01 -0.658397D+00  0.294863D+00
                76            77            78            79            80 
      1  -0.227327D+01 -0.200009D+02  0.205530D+01 -0.946277D+00 -0.141567D+01
      2  -0.246957D+01  0.336352D+02  0.141665D+01  0.983918D+00 -0.663181D+00
      3   0.474284D+01 -0.136343D+02 -0.347195D+01 -0.376411D-01  0.207885D+01
      4   0.158703D+02 -0.246351D+02 -0.106646D+01  0.160408D+01 -0.445315D+00
      5   0.949641D-02 -0.775753D+00 -0.470481D+01  0.359875D+01 -0.287930D+01
      6  -0.194986D+01  0.693267D+00  0.104068D+02 -0.158639D+01  0.793280D+01
                81            82            83            84            85 
      1  -0.551801D+01  0.123935D+02  0.430283D+01  0.586875D+00 -0.341415D+01
      2   0.167624D+01 -0.415093D+01 -0.230582D+01 -0.710410D+00  0.317895D+01
      3   0.384178D+01 -0.824253D+01 -0.199701D+01  0.123535D+00  0.235196D+00
      4  -0.318709D+01  0.210503D+02  0.213079D+02 -0.777315D+00  0.853297D+01
      5  -0.271026D+00  0.372245D+00 -0.792733D+00  0.708281D+01 -0.139258D+01
      6   0.918799D+00  0.493850D+00 -0.267271D+00  0.154070D+00 -0.187970D+01
                86            87            88            89            90 
      1  -0.269938D+02  0.408502D+00  0.262441D+00 -0.589392D+00 -0.807589D+01
      2   0.407754D+02 -0.428330D+00 -0.128729D+01  0.136714D+00  0.514411D+01
      3  -0.137816D+02  0.198279D-01  0.102485D+01  0.452678D+00  0.293179D+01
      4   0.199975D+02 -0.151781D+01 -0.199265D+00  0.276642D+00  0.658692D+01
      5  -0.216003D+01  0.146619D+01  0.412762D+01  0.704744D+01 -0.260681D+00
      6  -0.247536D+01  0.145571D+02  0.552861D-01  0.130204D+02 -0.717173D+00
                91            92            93            94            95 
      1  -0.182185D+01  0.433884D-02 -0.334951D+01 -0.475283D+00 -0.332631D+01
      2  -0.295166D+01  0.457262D+00 -0.105517D+01  0.189769D+00  0.244086D+00
      3   0.477351D+01 -0.461601D+00  0.440468D+01  0.285513D+00  0.308223D+01
      4  -0.775647D+00  0.182312D+01 -0.139298D+01  0.263412D+01  0.124111D+01
      5   0.252614D+00 -0.564186D+00  0.504334D+01 -0.442787D-01 -0.615768D+00
      6  -0.181299D+01  0.802725D+00 -0.198903D+01  0.327695D+00 -0.193890D+01
                96            97            98            99           100 
      1   0.189028D+01 -0.386674D+01  0.336262D+01 -0.201705D+02 -0.233554D+01
      2  -0.137152D+01 -0.103005D+01 -0.101635D+01 -0.154589D+02 -0.283291D+01
      3  -0.518757D+00  0.489679D+01 -0.234626D+01  0.356294D+02  0.516845D+01
      4  -0.118677D+01 -0.975288D+00 -0.283548D+01 -0.174874D+00  0.112252D+01
      5   0.521290D+00  0.376345D+01  0.233224D+00 -0.600684D+01  0.331960D+00
      6   0.665700D+01 -0.970272D+00  0.537001D+01 -0.105438D+02  0.160060D+01
               101           102           103           104           105 
      1   0.505862D+00 -0.360353D+01  0.771589D+00 -0.298155D+01 -0.110532D+01
      2  -0.423315D+00 -0.107096D+01 -0.188524D+00 -0.215730D+00  0.194168D+01
      3  -0.825466D-01  0.467449D+01 -0.583065D+00  0.319728D+01 -0.836357D+00
      4   0.242505D+01  0.125760D+01  0.240657D+01 -0.233066D+00 -0.117554D+01
      5   0.200979D+00  0.548305D+01 -0.247535D+00 -0.475426D+00 -0.226515D+00
      6   0.684588D+00  0.163271D+01  0.770298D+00  0.116093D+01  0.647099D+01
               106           107           108           109           110 
      1  -0.564898D+01 -0.204050D+01 -0.219380D+02 -0.138312D+02  0.385508D+01
      2  -0.113964D+01  0.234123D+01 -0.160898D+02  0.703348D+01 -0.472699D+01
      3   0.678861D+01 -0.300733D+00  0.380278D+02  0.679771D+01  0.871917D+00
      4   0.149291D+01 -0.240082D+01  0.108133D+01 -0.174150D+02 -0.139755D+02
      5   0.390435D+01  0.600333D-01 -0.582491D+01 -0.644382D+00  0.462641D+00
      6   0.135020D+01  0.479666D+01  0.939548D+01 -0.611880D+00  0.314859D+00
               111           112           113           114           115 
      1  -0.584236D+00  0.156594D+01 -0.611813D+01  0.366714D+00  0.138388D+00
      2   0.383157D-01 -0.144043D+01  0.832511D+01 -0.333251D+00 -0.363570D-01
      3   0.545920D+00 -0.125510D+00 -0.220697D+01 -0.334632D-01 -0.102031D+00
      4   0.432632D+00  0.671704D+00  0.160375D+01  0.101893D+00 -0.503083D+00
      5  -0.585498D+01  0.526815D-01 -0.281931D+00  0.602366D+00  0.320004D+00
      6  -0.138311D+01  0.284088D+00 -0.484461D+00  0.178798D+01 -0.939142D-01
               116           117           118           119           120 
      1   0.706629D+00 -0.253644D+01  0.111174D+02  0.742474D+01  0.800669D-01
      2  -0.642989D+00  0.810271D+00 -0.496375D+01 -0.343768D+01  0.841848D-01
      3  -0.636401D-01  0.172617D+01 -0.615363D+01 -0.398705D+01 -0.164252D+00
      4   0.265457D+00  0.548012D+00  0.851976D+01  0.619793D+01  0.857118D-02
      5   0.811462D+00  0.240095D+00 -0.190870D+00  0.173626D-01  0.264049D+01
      6   0.286543D+01 -0.493538D+00 -0.150524D-01  0.285720D-01  0.134025D+01
               121           122           123           124           125 
      1   0.225658D+02  0.515591D+01  0.534616D+00 -0.853980D+00  0.607834D-01
      2  -0.132045D+02 -0.174981D+01 -0.558274D+00  0.378163D+00 -0.208505D+00
      3  -0.936129D+01 -0.340610D+01  0.236584D-01  0.475817D+00  0.147722D+00
      4   0.798554D+01  0.237065D+02 -0.131973D+00 -0.449092D-01 -0.241053D+00
      5   0.487384D+00 -0.258797D+00  0.463781D+01  0.500408D+01  0.271993D+01
      6   0.580664D-01  0.428585D+00 -0.130864D+00  0.841096D+00  0.167116D+01
               126           127           128           129           130 
      1   0.198739D+01 -0.453516D+01  0.100280D+02 -0.750674D+00  0.749291D+01
      2  -0.219292D+01  0.474882D+01 -0.135597D+02  0.240773D+00 -0.696051D+01
      3   0.205538D+00 -0.213659D+00  0.353164D+01  0.509901D+00 -0.532404D+00
      4   0.278965D+01 -0.375356D+01 -0.131216D+01 -0.198307D+00  0.398858D+01
      5   0.276094D+00 -0.175466D+00  0.806463D-01 -0.953735D+00  0.451549D-01
      6   0.754552D-01 -0.572160D+00  0.105532D+01 -0.121414D+01  0.838459D-01
               131           132           133           134           135 
      1  -0.225830D+02  0.768824D+00 -0.508097D+00  0.203285D+01 -0.352526D+01
      2   0.337785D+02 -0.106222D+01  0.704424D+00 -0.229140D+01  0.325205D+01
      3  -0.111955D+02  0.293393D+00 -0.196327D+00  0.258550D+00  0.273214D+00
      4   0.847304D+01 -0.370889D+00 -0.598299D+00 -0.612747D+00  0.945532D+00
      5  -0.749940D+00  0.183949D+01  0.114755D+01  0.945446D+00  0.409392D+00
      6  -0.200916D+01  0.464866D+01 -0.256766D-02  0.586311D+01 -0.691115D+00
               136           137           138           139           140 
      1   0.164281D+02  0.327014D+01  0.204471D+01 -0.392101D+01  0.451253D+01
      2  -0.668965D+01 -0.867992D+01 -0.454271D+00  0.778319D+00 -0.228088D+01
      3  -0.973842D+01  0.540978D+01 -0.159044D+01  0.314269D+01 -0.223165D+01
      4  -0.182777D+02  0.148754D+02 -0.193276D+01  0.473154D+01 -0.215603D+01
      5   0.184954D+01 -0.205277D+00  0.349061D+01 -0.710892D+00  0.681828D+00
      6  -0.172863D+01  0.118854D+00 -0.505183D+01  0.242737D+00 -0.422805D+00
               141           142           143           144 
      1  -0.114005D+00  0.167677D+01  0.191264D+01  0.560780D+00
      2   0.222676D+00 -0.129008D+01 -0.217978D+01 -0.149153D+01
      3  -0.108671D+00 -0.386693D+00  0.267144D+00  0.930746D+00
      4   0.540773D+00 -0.351653D+01  0.209042D+01 -0.361477D+01
      5  -0.206408D+01  0.459183D+01 -0.284255D+01  0.165787D+01
      6   0.368437D+00 -0.237308D+01  0.304535D+01 -0.207286D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.101689D+01      0.258468D+01      0.862157D+01
   y          0.118413D+01      0.300975D+01      0.100394D+02
   z         -0.938804D-01     -0.238620D+00     -0.795952D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.817975D+02      0.121211D+02      0.134866D+02
   yx         0.485171D+00      0.718949D-01      0.799938D-01
   yy         0.724905D+02      0.107420D+02      0.119521D+02
   zx         0.231744D+01      0.343409D+00      0.382094D+00
   zy        -0.928608D+00     -0.137605D+00     -0.153107D+00
   zz         0.474490D+02      0.703122D+01      0.782329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.749405D+02      0.111050D+02      0.123560D+02
   aniso      0.327268D+02      0.484962D+01      0.539593D+01
   xx         0.902497D+02      0.133736D+02      0.148802D+02
   yx         0.663275D+00      0.982873D-01      0.109359D+00
   yy         0.804516D+02      0.119217D+02      0.132647D+02
   zx         0.254819D+01      0.377603D+00      0.420140D+00
   zy        -0.982550D+00     -0.145599D+00     -0.162001D+00
   zz         0.541201D+02      0.801977D+01      0.892320D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.36613705         -1.93231799          1.06411086
     8          3.00072679         -2.52661013         -1.05307819
     8          3.23434426         -3.14809118          3.06439376
     6          0.57953831          0.25315521          1.64440423
     6         -1.74053337          0.54815162         -0.07722782
     6         -1.33701404          1.28257180         -2.87418922
     8         -2.57050826          3.01472731         -3.70610856
     8         -0.29014366         -0.16379782          4.16270315
     8         -3.17544312          2.49464004          1.07212425
     8          0.24842355         -0.02655414         -4.26499645
     1          1.61570088          2.04863596          1.64290003
     1         -2.86860962         -1.18682636          0.06026479
     1          1.32614180         -1.15806300         -3.21385684
     1          2.37538208         -2.48111987          4.55567432
     1         -1.53344592          1.12583451          4.52766959
     1         -3.70314660          3.58767736         -0.31555838

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.156366D+01      0.397443D+01      0.132573D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.621454D+02      0.920900D+01      0.102464D+02
   yx        -0.150861D+02     -0.223553D+01     -0.248736D+01
   yy         0.628739D+02      0.931696D+01      0.103665D+02
   zx         0.175982D+01      0.260778D+00      0.290155D+00
   zy        -0.489331D+01     -0.725114D+00     -0.806798D+00
   zz         0.767178D+02      0.113684D+02      0.126491D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.749405D+02      0.111050D+02      0.123560D+02
   aniso      0.327268D+02      0.484962D+01      0.539593D+01
   xx         0.694050D+02      0.102848D+02      0.114433D+02
   yx        -0.158010D+02     -0.234147D+01     -0.260524D+01
   yy         0.703723D+02      0.104281D+02      0.116028D+02
   zx         0.181828D+01      0.269441D+00      0.299793D+00
   zy        -0.521898D+01     -0.773373D+00     -0.860494D+00
   zz         0.850442D+02      0.126023D+02      0.140219D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-28\Freq\RB3LYP\Gen\C4H6O6\PIERPA\22-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
 axCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculatio
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 THE ONLY EXISTING THINGS ARE ATOMS AND EMPTY SPACE;
 ALL ELSE IS MERE OPINION. -- DEMOCRITUS OF ABDERA D. 370 B.C.
 EXPERIMENTS ARE THE ONLY MEANS OF KNOWLEDGE AT OUR DISPOSAL
 THE REST IS POETRY, IMAGINATION. -- MAX PLANCK
 Job cpu time:       0 days  6 hours 20 minutes 47.5 seconds.
 Elapsed time:       0 days  0 hours 47 minutes 43.6 seconds.
 File lengths (MBytes):  RWF=    514 Int=      0 D2E=      0 Chk=     16 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 21:09:51 2021.
